1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

C192H264N38O5 — CID 157209580

IUPAC1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/2C13H16.C11H18N2.C11H13N.C11H17N.2C10H13N3.C10H16N2O.2C10H12N2.C10H16N2.2C10H15NO.C9H12N4.2C9H11N3.2C9H14N2O.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)10-9-3-4-12-6-8(9)5-11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;8H,4-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;2*4-7H,1-3H3;6H,4-5,7H2,1-3H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*6,10H,3-5H2,1-2H3;3-6H,1-2H3
InChIKeyARSVRJRHNCPEFO-UHFFFAOYSA-N
MW3184.48 g/mol
LogP41.94
Rot. Bonds12

About 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 157209580) has the molecular formula C192H264N38O5 and a molecular weight of 3184.48 g/mol. Its IUPAC name is 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID157209580
Molecular FormulaC192H264N38O5
Molecular Weight3184.48 g/mol
Exact Mass3182.16
IUPAC Name1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/2C13H16.C11H18N2.C11H13N.C11H17N.2C10H13N3.C10H16N2O.2C10H12N2.C10H16N2.2C10H15NO.C9H12N4.2C9H11N3.2C9H14N2O.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)10-9-3-4-12-6-8(9)5-11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;8H,4-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;2*4-7H,1-3H3;6H,4-5,7H2,1-3H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*6,10H,3-5H2,1-2H3;3-6H,1-2H3
InChIKeyARSVRJRHNCPEFO-UHFFFAOYSA-N
XLogP41.94
TPSA471.18 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds12
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003184.48
LogP ≤ 541.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 157321288
(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 158557182
(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;methane;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 161206034
N-[4-[2-[4-[3-(2-azabicyclo[2.2.1]heptan-2-yl)propoxy]phenyl]ethynyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]acetamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethynyl]phenyl]acetamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-piperidin-1-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)-8aH-imidazo[1,2-a]pyrimidin-4-ium-2-yl]ethynyl]phenyl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]phenyl]urea
CID 161360656
5-tert-butyl-N-[3-[2-[8-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]-4-methylphenyl]-1,2-oxazole-3-carboxamide;N-[3-[2-[8-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;bis(N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)benzamide)
CID 161751406
1,3-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2,8-dimethyl-3,4-dihydro-1H-isoquinoline;1,2-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2,5-dimethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;3-(2-methoxyethyl)-1-methyl-2,3-dihydroindole;7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline;5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;methyl 5-fluoro-1-methyl-2,3-dihydroindole-3-carboxylate;5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;2,3,3-trimethyl-1,4-dihydroisoquinoline;1,4,4-trimethyl-2,3-dihydroquinoline
CID 161827750
4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate
CID 162214259
2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 157119029
CID 157138509
CID 157138509
5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157160575
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
N-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine;N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 157192056

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 157209580) is 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1.
What is the InChIKey of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ARSVRJRHNCPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16.C11H18N2.C11H13N.C11H17N.2C10H13N3.C10H16N2O.2C10H12N2.C10H16N2.2C10H15NO.C9H12N4.2C9H11N3.2C9H14N2O.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)10-9-3-4-12-6-8(9)5-11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;8H,4-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;2*4-7H,1-3H3;6H,4-5,7H2,1-3H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*6,10H,3-5H2,1-2H3;3-6H,1-2H3.
What are the key properties of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3184.48 g/mol, XLogP of 41.94, 12 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 157209580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).