N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide

C30H28ClF3N4O3 — CID 126511267

IUPACN-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3c(c2)cc(-c2ccc(Cl)cc2)n3[C@@H]2CCOC2)c1
InChIInChI=1S/C30H28ClF3N4O3/c1-30(2,34)29(40)36-15-17-11-23(26(27(32)33)35-14-17)28(39)37-21-7-8-24-19(12-21)13-25(18-3-5-20(31)6-4-18)38(24)22-9-10-41-16-22/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,36,40)(H,37,39)/t22-/m1/s1
InChIKeyORSREGWXHINSGZ-JOCHJYFZSA-N
MW585.03 g/mol
LogP6.87
Rot. Bonds8

About N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide

N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide (PubChem CID 126511267) has the molecular formula C30H28ClF3N4O3 and a molecular weight of 585.03 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
PubChem CID126511267
Molecular FormulaC30H28ClF3N4O3
Molecular Weight585.03 g/mol
Exact Mass584.18
IUPAC NameN-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3c(c2)cc(-c2ccc(Cl)cc2)n3[C@@H]2CCOC2)c1
InChIInChI=1S/C30H28ClF3N4O3/c1-30(2,34)29(40)36-15-17-11-23(26(27(32)33)35-14-17)28(39)37-21-7-8-24-19(12-21)13-25(18-3-5-20(31)6-4-18)38(24)22-9-10-41-16-22/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,36,40)(H,37,39)/t22-/m1/s1
InChIKeyORSREGWXHINSGZ-JOCHJYFZSA-N
XLogP6.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.03
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

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N-(4-chlorobenzyl)-2-(1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl)-2-oxoacetamide
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2-chloro-N-[(1Z)-1-(1-methyl-1H-indol-3-yl)-3-{[3-(morpholin-4-yl)propyl]amino}-3-oxoprop-1-en-2-yl]benzamide
CID 17573722
4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxylic acid 4-trifluoro methyl-benzylamide
CID 121393511
(2S,3S,4S)-1-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-fluoropyrrolidine-2-carboxamide
CID 68283721
(2S,3S,4S)-1-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]-4-fluoropyrrolidine-2-carboxamide
CID 71009431
US10081629, Example 15
CID 118466443
US10081629, Example 19
CID 118466444
US10081629, Example 21
CID 118466447
US10081629, Example 14
CID 118466449
US10081629, Example 20
CID 118466450

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide (CID 126511267) is N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide is CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3c(c2)cc(-c2ccc(Cl)cc2)n3[C@@H]2CCOC2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The InChIKey is ORSREGWXHINSGZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H28ClF3N4O3/c1-30(2,34)29(40)36-15-17-11-23(26(27(32)33)35-14-17)28(39)37-21-7-8-24-19(12-21)13-25(18-3-5-20(31)6-4-18)38(24)22-9-10-41-16-22/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,36,40)(H,37,39)/t22-/m1/s1.
What are the key properties of N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide has a molecular weight of 585.03 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 126511267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).