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

C33H27F3N4O3 — CID 91402035

IUPAC4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)c(Cc2ccn3nc(-c4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C33H27F3N4O3/c1-18-15-26(43-2)23(32(42)38-33(12-13-33)24-5-3-4-6-25(24)35)17-21(18)16-20-11-14-40-30(28(20)36)27(31(37)41)29(39-40)19-7-9-22(34)10-8-19/h3-11,14-15,17H,12-13,16H2,1-2H3,(H2,37,41)(H,38,42)
InChIKeyBUJQUTMTOIGWAZ-UHFFFAOYSA-N
MW584.60 g/mol
LogP5.84
Rot. Bonds8

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

4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 91402035) has the molecular formula C33H27F3N4O3 and a molecular weight of 584.60 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID91402035
Molecular FormulaC33H27F3N4O3
Molecular Weight584.60 g/mol
Exact Mass584.20
IUPAC Name4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)c(Cc2ccn3nc(-c4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C33H27F3N4O3/c1-18-15-26(43-2)23(32(42)38-33(12-13-33)24-5-3-4-6-25(24)35)17-21(18)16-20-11-14-40-30(28(20)36)27(31(37)41)29(39-40)19-7-9-22(34)10-8-19/h3-11,14-15,17H,12-13,16H2,1-2H3,(H2,37,41)(H,38,42)
InChIKeyBUJQUTMTOIGWAZ-UHFFFAOYSA-N
XLogP5.84
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.60
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[5-[cyclopropyl(phenyl)carbamoyl]-4-methoxy-2-methylphenyl]methyl]-4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 91502282
5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233795
5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 90912377
2-(4-fluorophenyl)-5-[[4-[2-(4-methoxyphenyl)ethoxy]-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]methyl]-1-benzofuran-3-carboxamide
CID 91093316
5-[5-[[1-(4,6-dimethylpyrimidin-2-yl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91188525
4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233837
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
CID 131908378
2-(4-fluorophenyl)-5-[[2-methyl-4-(3-methylbutoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]methyl]-1-benzofuran-3-carboxamide
CID 91556630
5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91174298
5-[4-(2-amino-2-oxoethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91277140
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-4-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 90816257
2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53468028

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 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) is 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc(C)c(Cc2ccn3nc(-c4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)NC1(c2ccccc2F)CC1.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BUJQUTMTOIGWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N4O3/c1-18-15-26(43-2)23(32(42)38-33(12-13-33)24-5-3-4-6-25(24)35)17-21(18)16-20-11-14-40-30(28(20)36)27(31(37)41)29(39-40)19-7-9-22(34)10-8-19/h3-11,14-15,17H,12-13,16H2,1-2H3,(H2,37,41)(H,38,42).
What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 584.60 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorophenyl)-5-[[5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 91402035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).