N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C27H22N6 — CID 137114695

About N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 137114695) has the molecular formula C27H22N6 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• PubChem CID: 137114695
• Molecular Formula: C27H22N6
• Molecular Weight: 430.52 g/mol
• Exact Mass: 430.19
• IUPAC Name: N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• SMILES: c1ccc(CNCc2cncc(-c3ccc4[nH]nc(-c5cc6ccccc6[nH]5)c4n3)c2)cc1
• InChI: InChI=1S/C27H22N6/c1-2-6-18(7-3-1)14-28-15-19-12-21(17-29-16-19)23-10-11-24-26(31-23)27(33-32-24)25-13-20-8-4-5-9-22(20)30-25/h1-13,16-17,28,30H,14-15H2,(H,32,33)
• InChIKey: QFPVEVHTLOSMKN-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.52
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The IUPAC name of N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 137114695) is N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

What is the SMILES notation for N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The canonical SMILES for N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is c1ccc(CNCc2cncc(-c3ccc4[nH]nc(-c5cc6ccccc6[nH]5)c4n3)c2)cc1.

What is the InChIKey of N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The InChIKey is QFPVEVHTLOSMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6/c1-2-6-18(7-3-1)14-28-15-19-12-21(17-29-16-19)23-10-11-24-26(31-23)27(33-32-24)25-13-20-8-4-5-9-22(20)30-25/h1-13,16-17,28,30H,14-15H2,(H,32,33).

What are the key properties of N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 430.52 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 137114695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).