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

C28H30N8O — CID 137134013

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

N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137134013) has the molecular formula C28H30N8O and a molecular weight of 494.60 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]pentanamide.

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]pentanamide
• PubChem CID: 137134013
• Molecular Formula: C28H30N8O
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.25
• IUPAC Name: N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H30N8O/c1-2-3-7-24(37)31-20-14-19(16-29-17-20)18-8-9-22-21(15-18)25(35-34-22)28-32-26-23(10-11-30-27(26)33-28)36-12-5-4-6-13-36/h8-11,14-17H,2-7,12-13H2,1H3,(H,31,37)(H,34,35)(H,30,32,33)
• InChIKey: SXSYTALXZLTDQI-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 115.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	5.68
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]pentanamide?

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]pentanamide (CID 137134013) is N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

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]pentanamide?

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]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2)c1.

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]pentanamide?

The InChIKey is SXSYTALXZLTDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-2-3-7-24(37)31-20-14-19(16-29-17-20)18-8-9-22-21(15-18)25(35-34-22)28-32-26-23(10-11-30-27(26)33-28)36-12-5-4-6-13-36/h8-11,14-17H,2-7,12-13H2,1H3,(H,31,37)(H,34,35)(H,30,32,33).

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]pentanamide?

N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 494.60 g/mol, XLogP of 5.68, 7 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]pentanamide is sourced from PubChem (CID 137134013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).