N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide

C26H23ClF3N5O2 — CID 118466598

IUPACN-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
SMILESCn1c(-c2cccc(Cl)c2)cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc21
InChIInChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)33-12-14-7-18(22(23(28)29)32-11-14)24(36)34-21-10-16-9-19(35(3)20(16)13-31-21)15-5-4-6-17(27)8-15/h4-11,13,23H,12H2,1-3H3,(H,33,37)(H,31,34,36)
InChIKeyHCGRNGVKLHUAJI-UHFFFAOYSA-N
MW529.95 g/mol
LogP5.84
Rot. Bonds7

About N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide

N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide (PubChem CID 118466598) has the molecular formula C26H23ClF3N5O2 and a molecular weight of 529.95 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
PubChem CID118466598
Molecular FormulaC26H23ClF3N5O2
Molecular Weight529.95 g/mol
Exact Mass529.15
IUPAC NameN-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
SMILESCn1c(-c2cccc(Cl)c2)cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc21
InChIInChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)33-12-14-7-18(22(23(28)29)32-11-14)24(36)34-21-10-16-9-19(35(3)20(16)13-31-21)15-5-4-6-17(27)8-15/h4-11,13,23H,12H2,1-3H3,(H,33,37)(H,31,34,36)
InChIKeyHCGRNGVKLHUAJI-UHFFFAOYSA-N
XLogP5.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.95
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide (CID 118466598) is N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide is Cn1c(-c2cccc(Cl)c2)cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc21.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The InChIKey is HCGRNGVKLHUAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)33-12-14-7-18(22(23(28)29)32-11-14)24(36)34-21-10-16-9-19(35(3)20(16)13-31-21)15-5-4-6-17(27)8-15/h4-11,13,23H,12H2,1-3H3,(H,33,37)(H,31,34,36).
What are the key properties of N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide has a molecular weight of 529.95 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118466598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).