N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C35H40F2N6O4 — CID 71283046

IUPACN-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(=O)NC(C)(C)CO)c(F)c4)ccn23)c1
InChIInChI=1S/C35H40F2N6O4/c1-21-6-5-7-22(2)42(21)15-13-38-32(45)25-9-11-27(36)29(17-25)40-34(47)30-19-39-31-18-24(12-14-43(30)31)23-8-10-26(28(37)16-23)33(46)41-35(3,4)20-44/h8-12,14,16-19,21-22,44H,5-7,13,15,20H2,1-4H3,(H,38,45)(H,40,47)(H,41,46)/t21-,22+
InChIKeyJKNYJFPKXRGTNK-SZPZYZBQSA-N
MW646.74 g/mol
LogP5.03
Rot. Bonds10

About N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283046) has the molecular formula C35H40F2N6O4 and a molecular weight of 646.74 g/mol. Its IUPAC name is N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283046
Molecular FormulaC35H40F2N6O4
Molecular Weight646.74 g/mol
Exact Mass646.31
IUPAC NameN-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(=O)NC(C)(C)CO)c(F)c4)ccn23)c1
InChIInChI=1S/C35H40F2N6O4/c1-21-6-5-7-22(2)42(21)15-13-38-32(45)25-9-11-27(36)29(17-25)40-34(47)30-19-39-31-18-24(12-14-43(30)31)23-8-10-26(28(37)16-23)33(46)41-35(3,4)20-44/h8-12,14,16-19,21-22,44H,5-7,13,15,20H2,1-4H3,(H,38,45)(H,40,47)(H,41,46)/t21-,22+
InChIKeyJKNYJFPKXRGTNK-SZPZYZBQSA-N
XLogP5.03
TPSA128.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.74
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78051287
N-[5-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291184
4-[3-[2-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]acetyl]imidazo[1,2-a]pyridin-7-yl]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 146731408
7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123329306
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144540978
N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283528
N-[5-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506
N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283168
7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283095
N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78048580
N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283016
N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159513812

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71283046) is N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(=O)NC(C)(C)CO)c(F)c4)ccn23)c1.
What is the InChIKey of N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JKNYJFPKXRGTNK-SZPZYZBQSA-N. The full InChI is InChI=1S/C35H40F2N6O4/c1-21-6-5-7-22(2)42(21)15-13-38-32(45)25-9-11-27(36)29(17-25)40-34(47)30-19-39-31-18-24(12-14-43(30)31)23-8-10-26(28(37)16-23)33(46)41-35(3,4)20-44/h8-12,14,16-19,21-22,44H,5-7,13,15,20H2,1-4H3,(H,38,45)(H,40,47)(H,41,46)/t21-,22+.
What are the key properties of N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 646.74 g/mol, XLogP of 5.03, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).