4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine

C53H68N10O2 — CID 159327744

IUPAC4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1cncc2c1C=CC2.CC(C)(C)c1cncc2c1COC2.CC(C)(C)c1cncc2ccnn12.CC(C)(C)c1cncn2ccnc12.CC(C)(C)c1onc2cccnc12
InChIInChI=1S/C12H15N.C11H15NO.2C10H13N3.C10H12N2O/c1-12(2,3)11-8-13-7-9-5-4-6-10(9)11;1-11(2,3)10-5-12-4-8-6-13-7-9(8)10;1-10(2,3)8-6-11-7-13-5-4-12-9(8)13;1-10(2,3)9-7-11-6-8-4-5-12-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h4,6-8H,5H2,1-3H3;4-5H,6-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyLEORUUZQXVQDDH-UHFFFAOYSA-N
MW877.19 g/mol
LogP11.93
Rot. Bonds

About 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine

4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine (PubChem CID 159327744) has the molecular formula C53H68N10O2 and a molecular weight of 877.19 g/mol. Its IUPAC name is 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine
PubChem CID159327744
Molecular FormulaC53H68N10O2
Molecular Weight877.19 g/mol
Exact Mass876.55
IUPAC Name4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1cncc2c1C=CC2.CC(C)(C)c1cncc2c1COC2.CC(C)(C)c1cncc2ccnn12.CC(C)(C)c1cncn2ccnc12.CC(C)(C)c1onc2cccnc12
InChIInChI=1S/C12H15N.C11H15NO.2C10H13N3.C10H12N2O/c1-12(2,3)11-8-13-7-9-5-4-6-10(9)11;1-11(2,3)10-5-12-4-8-6-13-7-9(8)10;1-10(2,3)8-6-11-7-13-5-4-12-9(8)13;1-10(2,3)9-7-11-6-8-4-5-12-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h4,6-8H,5H2,1-3H3;4-5H,6-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyLEORUUZQXVQDDH-UHFFFAOYSA-N
XLogP11.93
TPSA134.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.19
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

US9725449, Example 147
CID 122686639
CID 157083523
CID 157083523
3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine
CID 157108110
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
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide
CID 157318676
4-Cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine;2-(3,3-dimethylbutoxy)-5-methylpyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;1-(3,3-dimethylbutyl)pyrrole;1-(3,3-dimethylbutyl)-1,2,4-triazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
CID 157367408
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate
CID 158234741
2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine
CID 158277557
4-amino-3-[7-(2-methoxypyrimidin-5-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]pent-3-en-2-one;3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methyl-3-pyridinyl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole;5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile
CID 158317002
5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
CID 158512300
Bis(6-propan-2-ylfuro[2,3-b]pyridine);4-propan-2-ylfuro[3,2-c]pyridazine;7-propan-2-ylfuro[2,3-d]pyridazine;bis(2-propan-2-ylfuro[2,3-d]pyrimidine);4-propan-2-ylfuro[3,2-d]pyrimidine;5-propan-2-yloxadiazolo[5,4-b]pyridine;7-propan-2-yloxadiazolo[4,5-b]pyridine;4-propan-2-yloxadiazolo[5,4-c]pyridine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;5-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine
CID 158532461
4-Cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;4-(3,3-dimethylbutyl)pyrimidine;1-(3,3-dimethylbutyl)pyrrole;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentan-2-yl)pyrazole;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
CID 158780566

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine (CID 159327744) is 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine is CC(C)(C)c1cncc2c1C=CC2.CC(C)(C)c1cncc2c1COC2.CC(C)(C)c1cncc2ccnn12.CC(C)(C)c1cncn2ccnc12.CC(C)(C)c1onc2cccnc12.
What is the InChIKey of 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine?
The InChIKey is LEORUUZQXVQDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H15NO.2C10H13N3.C10H12N2O/c1-12(2,3)11-8-13-7-9-5-4-6-10(9)11;1-11(2,3)10-5-12-4-8-6-13-7-9(8)10;1-10(2,3)8-6-11-7-13-5-4-12-9(8)13;1-10(2,3)9-7-11-6-8-4-5-12-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h4,6-8H,5H2,1-3H3;4-5H,6-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine?
4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine has a molecular weight of 877.19 g/mol, XLogP of 11.93, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 159327744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).