N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide

C26H26F2N4O2 — CID 25061564

About N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide (PubChem CID 25061564) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
• PubChem CID: 25061564
• Molecular Formula: C26H26F2N4O2
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
• SMILES: COc1ccccc1-c1c[nH]c2ncc(-c3cc(F)c(F)c(C(=O)N(C)CCN(C)C)c3)cc12
• InChI: InChI=1S/C26H26F2N4O2/c1-31(2)9-10-32(3)26(33)20-11-16(13-22(27)24(20)28)17-12-19-21(15-30-25(19)29-14-17)18-7-5-6-8-23(18)34-4/h5-8,11-15H,9-10H2,1-4H3,(H,29,30)
• InChIKey: WQMRBZBPKYWBOM-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide (CID 25061564) is N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide is COc1ccccc1-c1c[nH]c2ncc(-c3cc(F)c(F)c(C(=O)N(C)CCN(C)C)c3)cc12.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

The InChIKey is WQMRBZBPKYWBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-31(2)9-10-32(3)26(33)20-11-16(13-22(27)24(20)28)17-12-19-21(15-30-25(19)29-14-17)18-7-5-6-8-23(18)34-4/h5-8,11-15H,9-10H2,1-4H3,(H,29,30).

What are the key properties of N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 464.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2,3-difluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 25061564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).