6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine

C24H18N8 — CID 137088715

About 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine

6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine (PubChem CID 137088715) has the molecular formula C24H18N8 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine.

Molecular Properties

• Compound Name: 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine
• PubChem CID: 137088715
• Molecular Formula: C24H18N8
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.17
• IUPAC Name: 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine
• SMILES: NC1=CC(c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3n2)=CNC=C1
• InChI: InChI=1S/C24H18N8/c25-16-5-8-27-11-15(9-16)19-1-2-20-23(30-19)24(32-31-20)21-10-17-18(12-28-13-22(17)29-21)14-3-6-26-7-4-14/h1-13,27,29H,25H2,(H,31,32)
• InChIKey: NCZCXJLRQAAZME-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 121.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine?

The IUPAC name of 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine (CID 137088715) is 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine.

What is the SMILES notation for 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine?

The canonical SMILES for 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine is NC1=CC(c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3n2)=CNC=C1.

What is the InChIKey of 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine?

The InChIKey is NCZCXJLRQAAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8/c25-16-5-8-27-11-15(9-16)19-1-2-20-23(30-19)24(32-31-20)21-10-17-18(12-28-13-22(17)29-21)14-3-6-26-7-4-14/h1-13,27,29H,25H2,(H,31,32).

What are the key properties of 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine?

6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine has a molecular weight of 418.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-azepin-4-amine is sourced from PubChem (CID 137088715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).