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

C33H27F3N4O3 — CID 59233786

IUPAC4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccc(F)cc5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C33H27F3N4O3/c1-18-16-26(43-3)25(31(41)38-33(13-14-33)20-6-10-22(35)11-7-20)17-24(18)23-12-15-40-30(28(23)36)27(32(42)37-2)29(39-40)19-4-8-21(34)9-5-19/h4-12,15-17H,13-14H2,1-3H3,(H,37,42)(H,38,41)
InChIKeyKZISNAXMZVSKGA-UHFFFAOYSA-N
MW584.60 g/mol
LogP6.18
Rot. Bonds7

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

4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233786) 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-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233786
Molecular FormulaC33H27F3N4O3
Molecular Weight584.60 g/mol
Exact Mass584.20
IUPAC Name4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccc(F)cc5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C33H27F3N4O3/c1-18-16-26(43-3)25(31(41)38-33(13-14-33)20-6-10-22(35)11-7-20)17-24(18)23-12-15-40-30(28(23)36)27(32(42)37-2)29(39-40)19-4-8-21(34)9-5-19/h4-12,15-17H,13-14H2,1-3H3,(H,37,42)(H,38,41)
InChIKeyKZISNAXMZVSKGA-UHFFFAOYSA-N
XLogP6.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.60
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233786) is 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccc(F)cc5)CC4)c(OC)cc3C)c(F)c12.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KZISNAXMZVSKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N4O3/c1-18-16-26(43-3)25(31(41)38-33(13-14-33)20-6-10-22(35)11-7-20)17-24(18)23-12-15-40-30(28(23)36)27(32(42)37-2)29(39-40)19-4-8-21(34)9-5-19/h4-12,15-17H,13-14H2,1-3H3,(H,37,42)(H,38,41).
What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 584.60 g/mol, XLogP of 6.18, 7 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-(4-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).