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

C30H26N8O — CID 137134001

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

N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 137134001) has the molecular formula C30H26N8O and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 137134001
• Molecular Formula: C30H26N8O
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.22
• IUPAC Name: N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2)c1)c1ccccc1
• InChI: InChI=1S/C30H26N8O/c39-30(19-7-3-1-4-8-19)33-22-15-21(17-31-18-22)20-9-10-24-23(16-20)26(37-36-24)29-34-27-25(11-12-32-28(27)35-29)38-13-5-2-6-14-38/h1,3-4,7-12,15-18H,2,5-6,13-14H2,(H,33,39)(H,36,37)(H,32,34,35)
• InChIKey: QQYTUFPSDOGYHV-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 115.48 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	514.59
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 137134001) is N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

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

The canonical SMILES for N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2)c1)c1ccccc1.

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

The InChIKey is QQYTUFPSDOGYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O/c39-30(19-7-3-1-4-8-19)33-22-15-21(17-31-18-22)20-9-10-24-23(16-20)26(37-36-24)29-34-27-25(11-12-32-28(27)35-29)38-13-5-2-6-14-38/h1,3-4,7-12,15-18H,2,5-6,13-14H2,(H,33,39)(H,36,37)(H,32,34,35).

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

N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 514.59 g/mol, XLogP of 5.81, 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-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137134001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).