5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene

C318H496N42O3S2 — CID 158686717

About 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene

5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene (PubChem CID 158686717) has the molecular formula C318H496N42O3S2 and a molecular weight of 5019.89 g/mol. Its IUPAC name is 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene.

Molecular Properties

• Compound Name: 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene
• PubChem CID: 158686717
• Molecular Formula: C318H496N42O3S2
• Molecular Weight: 5019.89 g/mol
• Exact Mass: 5015.94
• IUPAC Name: 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene
• SMILES: C1=CNC=CC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=NCc2ncccc21.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=C1CCCN1.O=c1cccc[nH]1.c1c[nH]cn1.c1cc2c[nH]cc2cn1.c1cc2cn[nH]c2cn1.c1cc2nccnc2cn1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2nccnc2c1.c1cnc2nccnc2c1.c1cncnc1.c1cnsc1
• InChI: InChI=1S/4C9H7N.5C8H7N.3C7H5N3.5C7H6N2.C6H5N3.C5H5NO.C5H7N.C5H5N.28C5H12.C4H4N2.C4H7NO.C4H4O.C4H4S.2C3H4N2.C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;3*1-2-7-4-5-9-6-8(7)3-1;1-2-8-5-7-6(1)9-3-4-10-7;2*1-2-6-7(9-3-1)10-5-4-8-6;1-4-9-7-2-3-8-5-6(1)7;1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-4-8-5-7(6)9-3-1;1-2-5-9-6-4-8-7(9)3-1;1-2-7-4-6-5(1)3-8-9-6;7-5-3-1-2-4-6-5;2*1-2-4-6-5-3-1;28*1-5(2,3)4;1-2-5-4-6-3-1;6-4-2-1-3-5-4;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h4*1-7H;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;2*1-2,4-6H,3H2;3*1-5H;2-5H,1H2;1-5,9H;1-2,4-5H,3H2;1-4H,5H2;1-6H;1-4H,(H,8,9);1-4H,(H,6,7);2-6H,1H2;1-5H;28*1-4H3;1-4H;1-3H2,(H,5,6);2*1-4H;2*1-3H,(H,4,5);1-3H
• InChIKey: IFVHPJHPGZEYJY-UHFFFAOYSA-N
• XLogP: 93.11
• TPSA: 591.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Heavy Atoms: 365
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5019.89
LogP ≤ 5	93.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene?

The IUPAC name of 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene (CID 158686717) is 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene.

What is the SMILES notation for 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene?

The canonical SMILES for 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene is C1=CNC=CC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=NCc2ncccc21.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=C1CCCN1.O=c1cccc[nH]1.c1c[nH]cn1.c1cc2c[nH]cc2cn1.c1cc2cn[nH]c2cn1.c1cc2nccnc2cn1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2nccnc2c1.c1cnc2nccnc2c1.c1cncnc1.c1cnsc1.

What is the InChIKey of 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene?

The InChIKey is IFVHPJHPGZEYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H7N.5C8H7N.3C7H5N3.5C7H6N2.C6H5N3.C5H5NO.C5H7N.C5H5N.28C5H12.C4H4N2.C4H7NO.C4H4O.C4H4S.2C3H4N2.C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;3*1-2-7-4-5-9-6-8(7)3-1;1-2-8-5-7-6(1)9-3-4-10-7;2*1-2-6-7(9-3-1)10-5-4-8-6;1-4-9-7-2-3-8-5-6(1)7;1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-4-8-5-7(6)9-3-1;1-2-5-9-6-4-8-7(9)3-1;1-2-7-4-6-5(1)3-8-9-6;7-5-3-1-2-4-6-5;2*1-2-4-6-5-3-1;28*1-5(2,3)4;1-2-5-4-6-3-1;6-4-2-1-3-5-4;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h4*1-7H;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;2*1-2,4-6H,3H2;3*1-5H;2-5H,1H2;1-5,9H;1-2,4-5H,3H2;1-4H,5H2;1-6H;1-4H,(H,8,9);1-4H,(H,6,7);2-6H,1H2;1-5H;28*1-4H3;1-4H;1-3H2,(H,5,6);2*1-4H;2*1-3H,(H,4,5);1-3H.

What are the key properties of 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene?

5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene has a molecular weight of 5019.89 g/mol, XLogP of 93.11, 0 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;bis(7H-cyclopenta[c]pyridine);1,4-dihydropyridine;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene is sourced from PubChem (CID 158686717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).