2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C163H268N40O — CID 167577523

IUPAC2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1ccccn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ccnn1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)c1ccon1.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2c(n1)CCCN2.CC(C)n1cc2c(n1)CCNC2.CC(C)n1cccn1
InChIInChI=1S/C12H19N.4C11H18N2.C10H17N3.C10H16N2.2C9H15N3.C9H13N.C8H12N2.C8H13N.2C7H12N2.3C6H11N3.C6H10N2.C6H9NO/c1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-9-8(11-12)4-3-5-10-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-8-7-6/h4-8H2,1-3H3;5,7,12H,4,6,8H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;8H,4-7H2,1-3H3;7,11H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*6-7,10H,3-5H2,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3
InChIKeyGSUBWTHEROALDO-UHFFFAOYSA-N
MW2804.22 g/mol
LogP34.35
Rot. Bonds5

About 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 167577523) has the molecular formula C163H268N40O and a molecular weight of 2804.22 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID167577523
Molecular FormulaC163H268N40O
Molecular Weight2804.22 g/mol
Exact Mass2802.21
IUPAC Name2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1ccccn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ccnn1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)c1ccon1.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2c(n1)CCCN2.CC(C)n1cc2c(n1)CCNC2.CC(C)n1cccn1
InChIInChI=1S/C12H19N.4C11H18N2.C10H17N3.C10H16N2.2C9H15N3.C9H13N.C8H12N2.C8H13N.2C7H12N2.3C6H11N3.C6H10N2.C6H9NO/c1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-9-8(11-12)4-3-5-10-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-8-7-6/h4-8H2,1-3H3;5,7,12H,4,6,8H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;8H,4-7H2,1-3H3;7,11H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*6-7,10H,3-5H2,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3
InChIKeyGSUBWTHEROALDO-UHFFFAOYSA-N
XLogP34.35
TPSA476.24 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds5
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002804.22
LogP ≤ 534.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

(E)-1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
CID 157923260
(E)-1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
CID 159750550
2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carbonitrile;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
CID 160326895
1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
CID 161131660
(E)-1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
CID 161198868
CID 161292437
CID 161292437
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4,4,4-trifluorobutanamide;6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one;3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 161886821
3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 167636690
N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 123747763
3-[3-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-1-quinolin-2-yl-7-(1H-tetrazol-5-yl)isoquinolin-5-yl]-1,2-oxazole
CID 141064053
3-[2-(1H-indazol-3-yl)-3-(7H-purin-2-yl)-1-pyrazin-2-yl-6-pyridazin-3-yl-5-pyridin-2-yl-7-pyrimidin-2-yl-3H-inden-4-yl]-1,2-oxazole
CID 141204913
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-3-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-quinolin-2-ylpyrrolidin-3-yl]-1,2-oxazole
CID 141385601

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 167577523) is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1ccccn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ccnn1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)c1ccon1.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2c(n1)CCCN2.CC(C)n1cc2c(n1)CCNC2.CC(C)n1cccn1.
What is the InChIKey of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is GSUBWTHEROALDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.4C11H18N2.C10H17N3.C10H16N2.2C9H15N3.C9H13N.C8H12N2.C8H13N.2C7H12N2.3C6H11N3.C6H10N2.C6H9NO/c1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-9-8(11-12)4-3-5-10-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-8-7-6/h4-8H2,1-3H3;5,7,12H,4,6,8H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;8H,4-7H2,1-3H3;7,11H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*6-7,10H,3-5H2,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 2804.22 g/mol, XLogP of 34.35, 5 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 167577523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).