N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C28H25FN6O4 — CID 78048580

IUPACN-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NC(CO)C(O)c4ccccc4)ccc3F)cnc2c1
InChIInChI=1S/C28H25FN6O4/c1-34-23(9-11-31-34)18-10-12-35-24(15-30-25(35)14-18)28(39)32-21-13-19(7-8-20(21)29)27(38)33-22(16-36)26(37)17-5-3-2-4-6-17/h2-15,22,26,36-37H,16H2,1H3,(H,32,39)(H,33,38)
InChIKeyOQLAFDHNSOPNPT-UHFFFAOYSA-N
MW528.54 g/mol
LogP2.95
Rot. Bonds8

About N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 78048580) has the molecular formula C28H25FN6O4 and a molecular weight of 528.54 g/mol. Its IUPAC name is N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID78048580
Molecular FormulaC28H25FN6O4
Molecular Weight528.54 g/mol
Exact Mass528.19
IUPAC NameN-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NC(CO)C(O)c4ccccc4)ccc3F)cnc2c1
InChIInChI=1S/C28H25FN6O4/c1-34-23(9-11-31-34)18-10-12-35-24(15-30-25(35)14-18)28(39)32-21-13-19(7-8-20(21)29)27(38)33-22(16-36)26(37)17-5-3-2-4-6-17/h2-15,22,26,36-37H,16H2,1H3,(H,32,39)(H,33,38)
InChIKeyOQLAFDHNSOPNPT-UHFFFAOYSA-N
XLogP2.95
TPSA133.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.54
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride
CID 161161949
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-[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-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048635
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-(5-ethyl-1-methylpyrazol-4-yl)benzamide
CID 118775808
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
methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
CID 71283111
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-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506
N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282883

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 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) is N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NC(CO)C(O)c4ccccc4)ccc3F)cnc2c1.
What is the InChIKey of N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OQLAFDHNSOPNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O4/c1-34-23(9-11-31-34)18-10-12-35-24(15-30-25(35)14-18)28(39)32-21-13-19(7-8-20(21)29)27(38)33-22(16-36)26(37)17-5-3-2-4-6-17/h2-15,22,26,36-37H,16H2,1H3,(H,32,39)(H,33,38).
What are the key properties of N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 528.54 g/mol, XLogP of 2.95, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 78048580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).