N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

C30H22N8O — CID 137156364

About N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 137156364) has the molecular formula C30H22N8O and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 137156364
• Molecular Formula: C30H22N8O
• Molecular Weight: 510.56 g/mol
• Exact Mass: 510.19
• IUPAC Name: N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6C=CC=NC6)cncc5[nH]4)c3c2)c1)c1ccccc1
• InChI: InChI=1S/C30H22N8O/c39-30(18-5-2-1-3-6-18)34-22-11-21(14-32-15-22)19-8-9-25-23(12-19)28(38-37-25)29-35-26-17-33-16-24(27(26)36-29)20-7-4-10-31-13-20/h1-12,14-17,20H,13H2,(H,34,39)(H,35,36)(H,37,38)
• InChIKey: YAKUAWOAAJTGJQ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 124.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.56
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 137156364) is N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

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

The canonical SMILES for N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6C=CC=NC6)cncc5[nH]4)c3c2)c1)c1ccccc1.

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

The InChIKey is YAKUAWOAAJTGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N8O/c39-30(18-5-2-1-3-6-18)34-22-11-21(14-32-15-22)19-8-9-25-23(12-19)28(38-37-25)29-35-26-17-33-16-24(27(26)36-29)20-7-4-10-31-13-20/h1-12,14-17,20H,13H2,(H,34,39)(H,35,36)(H,37,38).

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

N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 510.56 g/mol, XLogP of 5.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(2,3-dihydropyridin-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137156364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).