5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C33H28F2N4O3 — CID 91502282

IUPAC5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)c(Cc2ccn3nc(-c4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)N(c1ccccc1)C1CC1
InChIInChI=1S/C33H28F2N4O3/c1-19-16-27(42-2)26(33(41)39(25-12-13-25)24-6-4-3-5-7-24)18-22(19)17-21-14-15-38-31(29(21)35)28(32(36)40)30(37-38)20-8-10-23(34)11-9-20/h3-11,14-16,18,25H,12-13,17H2,1-2H3,(H2,36,40)
InChIKeyIXBSMYARBPQROV-UHFFFAOYSA-N
MW566.61 g/mol
LogP6.10
Rot. Bonds8

About 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 91502282) has the molecular formula C33H28F2N4O3 and a molecular weight of 566.61 g/mol. Its IUPAC name is 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID91502282
Molecular FormulaC33H28F2N4O3
Molecular Weight566.61 g/mol
Exact Mass566.21
IUPAC Name5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)c(Cc2ccn3nc(-c4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)N(c1ccccc1)C1CC1
InChIInChI=1S/C33H28F2N4O3/c1-19-16-27(42-2)26(33(41)39(25-12-13-25)24-6-4-3-5-7-24)18-22(19)17-21-14-15-38-31(29(21)35)28(32(36)40)30(37-38)20-8-10-23(34)11-9-20/h3-11,14-16,18,25H,12-13,17H2,1-2H3,(H2,36,40)
InChIKeyIXBSMYARBPQROV-UHFFFAOYSA-N
XLogP6.10
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 91402035
5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 90912377
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
5-[[5-[cyclopropyl(pyridin-2-yl)carbamoyl]-4-hydroxy-2-methylphenyl]methyl]-2-(4-fluorophenyl)-1-benzofuran-3-carboxamide
CID 123415386
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67382300
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
5-[5-[cyclopropyl-(5-methylpyrimidin-2-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67382432
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide
CID 52910309
2-(4-fluorophenyl)-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 91004037
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 91502282) is 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc(C)c(Cc2ccn3nc(-c4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)N(c1ccccc1)C1CC1.
What is the InChIKey of 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is IXBSMYARBPQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F2N4O3/c1-19-16-27(42-2)26(33(41)39(25-12-13-25)24-6-4-3-5-7-24)18-22(19)17-21-14-15-38-31(29(21)35)28(32(36)40)30(37-38)20-8-10-23(34)11-9-20/h3-11,14-16,18,25H,12-13,17H2,1-2H3,(H2,36,40).
What are the key properties of 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 566.61 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 91502282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).