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

C30H21N9 — CID 145244745

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

N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145244745) has the molecular formula C30H21N9 and a molecular weight of 507.56 g/mol. Its IUPAC name is N-(1-phenylethenyl)-5-[3-(4-pyridin-4-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-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145244745
• Molecular Formula: C30H21N9
• Molecular Weight: 507.56 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3n2)c1)c1ccccc1
• InChI: InChI=1S/C30H21N9/c1-18(19-5-3-2-4-6-19)34-22-15-21(16-32-17-22)23-7-8-25-28(35-23)29(39-38-25)30-36-24-11-14-33-26(27(24)37-30)20-9-12-31-13-10-20/h2-17,34H,1H2,(H,36,37)(H,38,39)
• InChIKey: HUXGZSCRAFGUFO-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.56
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethenyl)-5-[3-(4-pyridin-4-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-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145244745) is N-(1-phenylethenyl)-5-[3-(4-pyridin-4-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-(1-phenylethenyl)-5-[3-(4-pyridin-4-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-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3n2)c1)c1ccccc1.

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

The InChIKey is HUXGZSCRAFGUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N9/c1-18(19-5-3-2-4-6-19)34-22-15-21(16-32-17-22)23-7-8-25-28(35-23)29(39-38-25)30-36-24-11-14-33-26(27(24)37-30)20-9-12-31-13-10-20/h2-17,34H,1H2,(H,36,37)(H,38,39).

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

N-(1-phenylethenyl)-5-[3-(4-pyridin-4-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 507.56 g/mol, XLogP of 6.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-phenylethenyl)-5-[3-(4-pyridin-4-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 145244745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).