5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

C30H33N7 — CID 137034329

About 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137034329) has the molecular formula C30H33N7 and a molecular weight of 491.64 g/mol. Its IUPAC name is 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137034329
• Molecular Formula: C30H33N7
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.28
• IUPAC Name: 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(CC6CCCCC6)c5)cc34)cc2c(N2CCCCC2)n1
• InChI: InChI=1S/C30H33N7/c1-3-7-20(8-4-1)13-21-14-22(18-31-17-21)26-15-23-28(19-33-26)35-36-29(23)27-16-24-25(34-27)9-10-32-30(24)37-11-5-2-6-12-37/h9-10,14-20,34H,1-8,11-13H2,(H,35,36)
• InChIKey: PIXYQCHDNYFWBW-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137034329) is 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(CC6CCCCC6)c5)cc34)cc2c(N2CCCCC2)n1.

What is the InChIKey of 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is PIXYQCHDNYFWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7/c1-3-7-20(8-4-1)13-21-14-22(18-31-17-21)26-15-23-28(19-33-26)35-36-29(23)27-16-24-25(34-27)9-10-32-30(24)37-11-5-2-6-12-37/h9-10,14-20,34H,1-8,11-13H2,(H,35,36).

What are the key properties of 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 491.64 g/mol, XLogP of 6.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137034329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).