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

C30H27N7 — CID 145247602

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

5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145247602) has the molecular formula C30H27N7 and a molecular weight of 485.60 g/mol. Its IUPAC name is 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-pyridin-3-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-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145247602
• Molecular Formula: C30H27N7
• Molecular Weight: 485.60 g/mol
• Exact Mass: 485.23
• IUPAC Name: 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cncc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CC7CCCCC7)c6)cc45)cc23)c1
• InChI: InChI=1S/C30H27N7/c1-2-5-19(6-3-1)11-20-12-22(17-32-15-20)26-13-24-28(18-34-26)36-37-30(24)27-14-23-25(35-27)8-10-33-29(23)21-7-4-9-31-16-21/h4,7-10,12-19,35H,1-3,5-6,11H2,(H,36,37)
• InChIKey: YPMXCARPJBFFHO-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 96.03 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	485.60
LogP ≤ 5	6.75
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-pyridin-3-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-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 145247602) is 5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-pyridin-3-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-pyridin-3-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-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1cncc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CC7CCCCC7)c6)cc45)cc23)c1.

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

The InChIKey is YPMXCARPJBFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-2-5-19(6-3-1)11-20-12-22(17-32-15-20)26-13-24-28(18-34-26)36-37-30(24)27-14-23-25(35-27)8-10-33-29(23)21-7-4-9-31-16-21/h4,7-10,12-19,35H,1-3,5-6,11H2,(H,36,37).

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

5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 485.60 g/mol, XLogP of 6.75, 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-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145247602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).