N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C31H23N9 — CID 145245179

About N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145245179) has the molecular formula C31H23N9 and a molecular weight of 521.59 g/mol. Its IUPAC name is N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145245179
• Molecular Formula: C31H23N9
• Molecular Weight: 521.59 g/mol
• Exact Mass: 521.21
• IUPAC Name: N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C31H23N9/c1-19(15-20-7-3-2-4-8-20)35-22-16-21(17-32-18-22)23-10-11-26-29(36-23)30(40-39-26)31-37-25-12-14-34-27(28(25)38-31)24-9-5-6-13-33-24/h2-14,16-18,35H,1,15H2,(H,37,38)(H,39,40)
• InChIKey: SZBSMWVLWZKFCX-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.59
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145245179) is N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)nccc5[nH]4)c3n2)c1.

What is the InChIKey of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is SZBSMWVLWZKFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N9/c1-19(15-20-7-3-2-4-8-20)35-22-16-21(17-32-18-22)23-10-11-26-29(36-23)30(40-39-26)31-37-25-12-14-34-27(28(25)38-31)24-9-5-6-13-33-24/h2-14,16-18,35H,1,15H2,(H,37,38)(H,39,40).

What are the key properties of N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 521.59 g/mol, XLogP of 6.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145245179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).