7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C32H26F2N4O2 — CID 59233710

IUPAC7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2c(F)cc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3C)cc12
InChIInChI=1S/C32H26F2N4O2/c1-19-8-9-21(30(39)36-32(14-15-32)23-6-4-3-5-7-23)16-25(19)22-17-26-28(31(40)35-2)29(37-38(26)27(34)18-22)20-10-12-24(33)13-11-20/h3-13,16-18H,14-15H2,1-2H3,(H,35,40)(H,36,39)
InChIKeyRIRNLAVWFCCKDL-UHFFFAOYSA-N
MW536.58 g/mol
LogP6.03
Rot. Bonds6

About 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233710) has the molecular formula C32H26F2N4O2 and a molecular weight of 536.58 g/mol. Its IUPAC name is 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233710
Molecular FormulaC32H26F2N4O2
Molecular Weight536.58 g/mol
Exact Mass536.20
IUPAC Name7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2c(F)cc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3C)cc12
InChIInChI=1S/C32H26F2N4O2/c1-19-8-9-21(30(39)36-32(14-15-32)23-6-4-3-5-7-23)16-25(19)22-17-26-28(31(40)35-2)29(37-38(26)27(34)18-22)20-10-12-24(33)13-11-20/h3-13,16-18H,14-15H2,1-2H3,(H,35,40)(H,36,39)
InChIKeyRIRNLAVWFCCKDL-UHFFFAOYSA-N
XLogP6.03
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.58
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233710) is 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2c(F)cc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3C)cc12.
What is the InChIKey of 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is RIRNLAVWFCCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O2/c1-19-8-9-21(30(39)36-32(14-15-32)23-6-4-3-5-7-23)16-25(19)22-17-26-28(31(40)35-2)29(37-38(26)27(34)18-22)20-10-12-24(33)13-11-20/h3-13,16-18H,14-15H2,1-2H3,(H,35,40)(H,36,39).
What are the key properties of 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 536.58 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).