N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide

C27H24F3N5O2 — CID 158536286

About N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide

N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 158536286) has the molecular formula C27H24F3N5O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide
• PubChem CID: 158536286
• Molecular Formula: C27H24F3N5O2
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide
• SMILES: Cc1ccc(Nc2ccc(CNC(=O)C3(CC(=O)c4cnc5cc[nH]c5c4)CC3)nc2)c(C(F)(F)F)c1
• InChI: InChI=1S/C27H24F3N5O2/c1-16-2-5-21(20(10-16)27(28,29)30)35-19-4-3-18(32-15-19)14-34-25(37)26(7-8-26)12-24(36)17-11-23-22(33-13-17)6-9-31-23/h2-6,9-11,13,15,31,35H,7-8,12,14H2,1H3,(H,34,37)
• InChIKey: HNZDGLBHYNTVAD-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide (CID 158536286) is N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide is Cc1ccc(Nc2ccc(CNC(=O)C3(CC(=O)c4cnc5cc[nH]c5c4)CC3)nc2)c(C(F)(F)F)c1.

What is the InChIKey of N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide?

The InChIKey is HNZDGLBHYNTVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2/c1-16-2-5-21(20(10-16)27(28,29)30)35-19-4-3-18(32-15-19)14-34-25(37)26(7-8-26)12-24(36)17-11-23-22(33-13-17)6-9-31-23/h2-6,9-11,13,15,31,35H,7-8,12,14H2,1H3,(H,34,37).

What are the key properties of N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide?

N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 5.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158536286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).