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

C27H22N8O — CID 137116282

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

2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137116282) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137116282
• Molecular Formula: C27H22N8O
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.19
• IUPAC Name: 2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccn6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C27H22N8O/c1-15(2)27(36)32-17-7-16(10-28-11-17)22-9-19-25(14-31-22)34-35-26(19)23-8-18-20(12-29-13-24(18)33-23)21-5-3-4-6-30-21/h3-15,33H,1-2H3,(H,32,36)(H,34,35)
• InChIKey: ZWEVMXZESNTWHV-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137116282) is 2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for 2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccn6)cncc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is ZWEVMXZESNTWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O/c1-15(2)27(36)32-17-7-16(10-28-11-17)22-9-19-25(14-31-22)34-35-26(19)23-8-18-20(12-29-13-24(18)33-23)21-5-3-4-6-30-21/h3-15,33H,1-2H3,(H,32,36)(H,34,35).

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

2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 474.53 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137116282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).