3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane

C46H45N15 — CID 145033782

About 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane

3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane (PubChem CID 145033782) has the molecular formula C46H45N15 and a molecular weight of 807.97 g/mol. Its IUPAC name is 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane.

Molecular Properties

• Compound Name: 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
• PubChem CID: 145033782
• Molecular Formula: C46H45N15
• Molecular Weight: 807.97 g/mol
• Exact Mass: 807.40
• IUPAC Name: 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
• SMILES: C1=CC(c2nccc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)nc23)=CC1.CC.Cc1ncc(-c2cc3c(-c4nc5c(C6=CCCC6)nccc5[nH]4)n[nH]c3cn2)n1C
• InChI: InChI=1S/C22H20N8.C22H19N7.C2H6/c1-12-24-11-18(30(12)2)16-9-14-17(10-25-16)28-29-20(14)22-26-15-7-8-23-19(21(15)27-22)13-5-3-4-6-13;1-2-4-14(3-1)19-21-16(7-10-24-19)26-22(27-21)20-15-11-17(13-5-8-23-9-6-13)25-12-18(15)28-29-20;1-2/h5,7-11H,3-4,6H2,1-2H3,(H,26,27)(H,28,29);1,3-5,7,10-12,23H,2,6,8-9H2,(H,26,27)(H,28,29);1-2H3
• InChIKey: OKULCXLNWNTZNM-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 196.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.97
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane?

The IUPAC name of 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane (CID 145033782) is 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane.

What is the SMILES notation for 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane?

The canonical SMILES for 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane is C1=CC(c2nccc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)nc23)=CC1.CC.Cc1ncc(-c2cc3c(-c4nc5c(C6=CCCC6)nccc5[nH]4)n[nH]c3cn2)n1C.

What is the InChIKey of 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane?

The InChIKey is OKULCXLNWNTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8.C22H19N7.C2H6/c1-12-24-11-18(30(12)2)16-9-14-17(10-25-16)28-29-20(14)22-26-15-7-8-23-19(21(15)27-22)13-5-3-4-6-13;1-2-4-14(3-1)19-21-16(7-10-24-19)26-22(27-21)20-15-11-17(13-5-8-23-9-6-13)25-12-18(15)28-29-20;1-2/h5,7-11H,3-4,6H2,1-2H3,(H,26,27)(H,28,29);1,3-5,7,10-12,23H,2,6,8-9H2,(H,26,27)(H,28,29);1-2H3.

What are the key properties of 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane?

3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane has a molecular weight of 807.97 g/mol, XLogP of 8.81, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine;3-[4-(cyclopenten-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane is sourced from PubChem (CID 145033782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).