2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid

C48H34F6N10O3 — CID 159543318

IUPAC2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid
SMILESNc1c(-c2ccccc2)nc2ccccn12.O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1.O=C(O)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C24H16F3N5O.C13H11N3.C11H7F3N2O2/c25-24(26,27)18-10-9-16(14-17(18)19-11-12-28-31-19)23(33)30-22-21(15-6-2-1-3-7-15)29-20-8-4-5-13-32(20)22;14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;12-11(13,14)8-2-1-6(10(17)18)5-7(8)9-3-4-15-16-9/h1-14H,(H,28,31)(H,30,33);1-9H,14H2;1-5H,(H,15,16)(H,17,18)
InChIKeyMEMIEXMUCUWZKR-UHFFFAOYSA-N
MW912.86 g/mol
LogP11.04
Rot. Bonds7

About 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid

2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid (PubChem CID 159543318) has the molecular formula C48H34F6N10O3 and a molecular weight of 912.86 g/mol. Its IUPAC name is 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid
PubChem CID159543318
Molecular FormulaC48H34F6N10O3
Molecular Weight912.86 g/mol
Exact Mass912.27
IUPAC Name2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid
SMILESNc1c(-c2ccccc2)nc2ccccn12.O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1.O=C(O)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C24H16F3N5O.C13H11N3.C11H7F3N2O2/c25-24(26,27)18-10-9-16(14-17(18)19-11-12-28-31-19)23(33)30-22-21(15-6-2-1-3-7-15)29-20-8-4-5-13-32(20)22;14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;12-11(13,14)8-2-1-6(10(17)18)5-7(8)9-3-4-15-16-9/h1-14H,(H,28,31)(H,30,33);1-9H,14H2;1-5H,(H,15,16)(H,17,18)
InChIKeyMEMIEXMUCUWZKR-UHFFFAOYSA-N
XLogP11.04
TPSA184.38 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.86
LogP ≤ 511.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid with MolForge

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Related Compounds

N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 91933887
N-[6-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408591
4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid
CID 155167461
2-fluoro-4-[6-(1-trityl-1H-4-pyrazolyl)imidazo-[1,2-a]pyridin-3-yl]benzoic acid
CID 22032217
4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 22032464
3-Fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 23537426
N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118395447
N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118408240
3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 118408505
N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408509
2-fluoro-N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408521
N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408527

Frequently Asked Questions

What is the IUPAC name of 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid (CID 159543318) is 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid is Nc1c(-c2ccccc2)nc2ccccn12.O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1.O=C(O)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1.
What is the InChIKey of 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid?
The InChIKey is MEMIEXMUCUWZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O.C13H11N3.C11H7F3N2O2/c25-24(26,27)18-10-9-16(14-17(18)19-11-12-28-31-19)23(33)30-22-21(15-6-2-1-3-7-15)29-20-8-4-5-13-32(20)22;14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;12-11(13,14)8-2-1-6(10(17)18)5-7(8)9-3-4-15-16-9/h1-14H,(H,28,31)(H,30,33);1-9H,14H2;1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid?
2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid has a molecular weight of 912.86 g/mol, XLogP of 11.04, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 159543318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).