N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C26H30FN7O2 — CID 71283528

IUPACN-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1)C(C)(C)C
InChIInChI=1S/C26H30FN7O2/c1-26(2,3)32(4)13-11-28-24(35)18-6-7-19(27)20(14-18)31-25(36)22-16-29-23-15-17(9-12-34(22)23)21-8-10-30-33(21)5/h6-10,12,14-16H,11,13H2,1-5H3,(H,28,35)(H,31,36)
InChIKeyPDSOSXMAHFIZIR-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.59
Rot. Bonds7

About N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283528) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283528
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC NameN-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1)C(C)(C)C
InChIInChI=1S/C26H30FN7O2/c1-26(2,3)32(4)13-11-28-24(35)18-6-7-19(27)20(14-18)31-25(36)22-16-29-23-15-17(9-12-34(22)23)21-8-10-30-33(21)5/h6-10,12,14-16H,11,13H2,1-5H3,(H,28,35)(H,31,36)
InChIKeyPDSOSXMAHFIZIR-UHFFFAOYSA-N
XLogP3.59
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-fluoro-3-[2-[7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]benzamide
CID 158765415
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
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-[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
methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
CID 71283111
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-[(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-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71283528) is N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is CN(CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1)C(C)(C)C.
What is the InChIKey of N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PDSOSXMAHFIZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-26(2,3)32(4)13-11-28-24(35)18-6-7-19(27)20(14-18)31-25(36)22-16-29-23-15-17(9-12-34(22)23)21-8-10-30-33(21)5/h6-10,12,14-16H,11,13H2,1-5H3,(H,28,35)(H,31,36).
What are the key properties of N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).