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

C24H21N5O — CID 137088107

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

2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide (PubChem CID 137088107) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide
• PubChem CID: 137088107
• Molecular Formula: C24H21N5O
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.17
• IUPAC Name: 2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide
• SMILES: CC(C)C(=O)Nc1cccc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C24H21N5O/c1-14(2)24(30)26-18-5-3-4-15(10-18)16-6-7-21-19(11-16)23(29-28-21)22-12-17-13-25-9-8-20(17)27-22/h3-14,27H,1-2H3,(H,26,30)(H,28,29)
• InChIKey: HXTWOJHDHCSZCE-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide (CID 137088107) is 2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide.

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

The canonical SMILES for 2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide is CC(C)C(=O)Nc1cccc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1.

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

The InChIKey is HXTWOJHDHCSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-14(2)24(30)26-18-5-3-4-15(10-18)16-6-7-21-19(11-16)23(29-28-21)22-12-17-13-25-9-8-20(17)27-22/h3-14,27H,1-2H3,(H,26,30)(H,28,29).

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

2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide has a molecular weight of 395.47 g/mol, XLogP of 5.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 137088107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).