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

C32H27FN4O2 — CID 59233738

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)NC4(c5ccccc5)CCC4)c3)cc12
InChIInChI=1S/C32H27FN4O2/c1-34-31(39)28-27-20-23(15-18-37(27)36-29(28)21-11-13-26(33)14-12-21)22-7-5-8-24(19-22)30(38)35-32(16-6-17-32)25-9-3-2-4-10-25/h2-5,7-15,18-20H,6,16-17H2,1H3,(H,34,39)(H,35,38)
InChIKeyCLFLOMHYOTYZFL-UHFFFAOYSA-N
MW518.59 g/mol
LogP5.98
Rot. Bonds6

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

2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233738) has the molecular formula C32H27FN4O2 and a molecular weight of 518.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233738
Molecular FormulaC32H27FN4O2
Molecular Weight518.59 g/mol
Exact Mass518.21
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)NC4(c5ccccc5)CCC4)c3)cc12
InChIInChI=1S/C32H27FN4O2/c1-34-31(39)28-27-20-23(15-18-37(27)36-29(28)21-11-13-26(33)14-12-21)22-7-5-8-24(19-22)30(38)35-32(16-6-17-32)25-9-3-2-4-10-25/h2-5,7-15,18-20H,6,16-17H2,1H3,(H,34,39)(H,35,38)
InChIKeyCLFLOMHYOTYZFL-UHFFFAOYSA-N
XLogP5.98
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.59
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233738) is 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)NC4(c5ccccc5)CCC4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CLFLOMHYOTYZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN4O2/c1-34-31(39)28-27-20-23(15-18-37(27)36-29(28)21-11-13-26(33)14-12-21)22-7-5-8-24(19-22)30(38)35-32(16-6-17-32)25-9-3-2-4-10-25/h2-5,7-15,18-20H,6,16-17H2,1H3,(H,34,39)(H,35,38).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 518.59 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclobutyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).