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

C28H31N9O — CID 137042295

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

N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137042295) has the molecular formula C28H31N9O and a molecular weight of 509.62 g/mol. Its IUPAC name is N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137042295
• Molecular Formula: C28H31N9O
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.27
• IUPAC Name: N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CCC(C)C(=O)N(C)c1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H31N9O/c1-4-17(2)28(38)36(3)19-14-18(15-29-16-19)20-8-9-21-23(31-20)25(35-34-21)27-32-24-22(10-11-30-26(24)33-27)37-12-6-5-7-13-37/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,34,35)(H,30,32,33)
• InChIKey: FDGOESREIVBBAF-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 119.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.62
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137042295) is N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is CCC(C)C(=O)N(C)c1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3n2)c1.

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

The InChIKey is FDGOESREIVBBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O/c1-4-17(2)28(38)36(3)19-14-18(15-29-16-19)20-8-9-21-23(31-20)25(35-34-21)27-32-24-22(10-11-30-26(24)33-27)37-12-6-5-7-13-37/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,34,35)(H,30,32,33).

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

N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 509.62 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137042295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).