N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide

C22H19N7O — CID 137114998

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

N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137114998) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137114998
• Molecular Formula: C22H19N7O
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.17
• IUPAC Name: N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C22H19N7O/c1-2-4-20(30)25-14-9-13(11-23-12-14)15-6-7-17-21(27-15)22(29-28-17)19-10-18-16(26-19)5-3-8-24-18/h3,5-12,26H,2,4H2,1H3,(H,25,30)(H,28,29)
• InChIKey: JDQOPVYPCSSLCI-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137114998) is N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3n2)c1.

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

The InChIKey is JDQOPVYPCSSLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-2-4-20(30)25-14-9-13(11-23-12-14)15-6-7-17-21(27-15)22(29-28-17)19-10-18-16(26-19)5-3-8-24-18/h3,5-12,26H,2,4H2,1H3,(H,25,30)(H,28,29).

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

N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 397.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137114998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).