N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C26H27FN4O — CID 145491941

About N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 145491941) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• PubChem CID: 145491941
• Molecular Formula: C26H27FN4O
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.22
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• SMILES: Cc1ccccc1-c1c[nH]c2ncc(-c3ccc(F)c(C(=O)N(C)CCN(C)C)c3)cc12
• InChI: InChI=1S/C26H27FN4O/c1-17-7-5-6-8-20(17)23-16-29-25-21(23)14-19(15-28-25)18-9-10-24(27)22(13-18)26(32)31(4)12-11-30(2)3/h5-10,13-16H,11-12H2,1-4H3,(H,28,29)
• InChIKey: JQICJLCSHHYDEL-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 145491941) is N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is Cc1ccccc1-c1c[nH]c2ncc(-c3ccc(F)c(C(=O)N(C)CCN(C)C)c3)cc12.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The InChIKey is JQICJLCSHHYDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-17-7-5-6-8-20(17)23-16-29-25-21(23)14-19(15-28-25)18-9-10-24(27)22(13-18)26(32)31(4)12-11-30(2)3/h5-10,13-16H,11-12H2,1-4H3,(H,28,29).

What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 430.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-fluoro-N-methyl-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 145491941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).