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

C23H21N7O — CID 137113178

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

3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137113178) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137113178
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: 3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5ncccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C23H21N7O/c1-13(2)6-22(31)27-15-7-14(10-24-11-15)18-8-16-21(12-26-18)29-30-23(16)20-9-19-17(28-20)4-3-5-25-19/h3-5,7-13,28H,6H2,1-2H3,(H,27,31)(H,29,30)
• InChIKey: WBZGMNJIYIWKCD-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137113178) is 3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for 3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5ncccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is WBZGMNJIYIWKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-13(2)6-22(31)27-15-7-14(10-24-11-15)18-8-16-21(12-26-18)29-30-23(16)20-9-19-17(28-20)4-3-5-25-19/h3-5,7-13,28H,6H2,1-2H3,(H,27,31)(H,29,30).

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

3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 411.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137113178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).