2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide

C23H20N6O — CID 137115617

About 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide

2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137115617) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137115617
• Molecular Formula: C23H20N6O
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.17
• IUPAC Name: 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
• SMILES: CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C23H20N6O/c1-13(2)23(30)26-16-8-15(11-24-12-16)14-5-6-18-17(9-14)22(29-28-18)21-10-20-19(27-21)4-3-7-25-20/h3-13,27H,1-2H3,(H,26,30)(H,28,29)
• InChIKey: PQEBEEVWUXSFTQ-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137115617) is 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3c2)c1.

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

The InChIKey is PQEBEEVWUXSFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-13(2)23(30)26-16-8-15(11-24-12-16)14-5-6-18-17(9-14)22(29-28-18)21-10-20-19(27-21)4-3-7-25-20/h3-13,27H,1-2H3,(H,26,30)(H,28,29).

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

2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 396.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137115617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).