N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

C25H19N9O — CID 137109898

About N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137109898) has the molecular formula C25H19N9O and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137109898
• Molecular Formula: C25H19N9O
• Molecular Weight: 461.49 g/mol
• Exact Mass: 461.17
• IUPAC Name: N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C25H19N9O/c1-2-21(35)29-15-9-14(10-26-11-15)17-6-7-19-23(30-17)24(34-33-19)25-31-20-13-27-12-16(22(20)32-25)18-5-3-4-8-28-18/h3-13H,2H2,1H3,(H,29,35)(H,31,32)(H,33,34)
• InChIKey: IVRWFQBVDGLLSF-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 138.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.49
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137109898) is N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3n2)c1.

What is the InChIKey of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is IVRWFQBVDGLLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N9O/c1-2-21(35)29-15-9-14(10-26-11-15)17-6-7-19-23(30-17)24(34-33-19)25-31-20-13-27-12-16(22(20)32-25)18-5-3-4-8-28-18/h3-13H,2H2,1H3,(H,29,35)(H,31,32)(H,33,34).

What are the key properties of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 461.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137109898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).