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

C29H26N8O — CID 137133926

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

3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 137133926) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is 3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137133926
• Molecular Formula: C29H26N8O
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.22
• IUPAC Name: 3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
• SMILES: CC(C)(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H26N8O/c1-29(2,3)13-24(38)33-20-11-19(15-31-16-20)17-6-7-23-22(12-17)26(37-36-23)28-34-25-21(8-10-32-27(25)35-28)18-5-4-9-30-14-18/h4-12,14-16H,13H2,1-3H3,(H,33,38)(H,36,37)(H,32,34,35)
• InChIKey: UJPMMGIWNUWSRI-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 137133926) is 3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for 3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is CC(C)(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1.

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

The InChIKey is UJPMMGIWNUWSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c1-29(2,3)13-24(38)33-20-11-19(15-31-16-20)17-6-7-23-22(12-17)26(37-36-23)28-34-25-21(8-10-32-27(25)35-28)18-5-4-9-30-14-18/h4-12,14-16H,13H2,1-3H3,(H,33,38)(H,36,37)(H,32,34,35).

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

3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 502.58 g/mol, XLogP of 6.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137133926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).