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

C33H34F2N4O3 — CID 59233795

IUPAC5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C5CCCCC5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C33H34F2N4O3/c1-19-17-26(42-3)25(31(40)37-33(14-15-33)21-7-5-4-6-8-21)18-24(19)23-13-16-39-30(28(23)35)27(32(41)36-2)29(38-39)20-9-11-22(34)12-10-20/h9-13,16-18,21H,4-8,14-15H2,1-3H3,(H,36,41)(H,37,40)
InChIKeyCXAXIQMCOAABQY-UHFFFAOYSA-N
MW572.66 g/mol
LogP6.47
Rot. Bonds7

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

5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233795) has the molecular formula C33H34F2N4O3 and a molecular weight of 572.66 g/mol. Its IUPAC name is 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233795
Molecular FormulaC33H34F2N4O3
Molecular Weight572.66 g/mol
Exact Mass572.26
IUPAC Name5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C5CCCCC5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C33H34F2N4O3/c1-19-17-26(42-3)25(31(40)37-33(14-15-33)21-7-5-4-6-8-21)18-24(19)23-13-16-39-30(28(23)35)27(32(41)36-2)29(38-39)20-9-11-22(34)12-10-20/h9-13,16-18,21H,4-8,14-15H2,1-3H3,(H,36,41)(H,37,40)
InChIKeyCXAXIQMCOAABQY-UHFFFAOYSA-N
XLogP6.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233795) is 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C5CCCCC5)CC4)c(OC)cc3C)c(F)c12.
What is the InChIKey of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CXAXIQMCOAABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N4O3/c1-19-17-26(42-3)25(31(40)37-33(14-15-33)21-7-5-4-6-8-21)18-24(19)23-13-16-39-30(28(23)35)27(32(41)36-2)29(38-39)20-9-11-22(34)12-10-20/h9-13,16-18,21H,4-8,14-15H2,1-3H3,(H,36,41)(H,37,40).
What are the key properties of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 572.66 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).