2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C32H30FN5O4S — CID 59233731

IUPAC2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C32H30FN5O4S/c1-32(2,23-11-6-5-7-12-23)35-30(39)22-10-8-9-21(17-22)25-18-27-28(31(40)34-3)29(20-13-15-24(33)16-14-20)36-38(27)19-26(25)37-43(4,41)42/h5-19,37H,1-4H3,(H,34,40)(H,35,39)
InChIKeyJKHVDHRWOLCNPO-UHFFFAOYSA-N
MW599.69 g/mol
LogP5.20
Rot. Bonds8

About 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233731) has the molecular formula C32H30FN5O4S and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233731
Molecular FormulaC32H30FN5O4S
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C32H30FN5O4S/c1-32(2,23-11-6-5-7-12-23)35-30(39)22-10-8-9-21(17-22)25-18-27-28(31(40)34-3)29(20-13-15-24(33)16-14-20)36-38(27)19-26(25)37-43(4,41)42/h5-19,37H,1-4H3,(H,34,40)(H,35,39)
InChIKeyJKHVDHRWOLCNPO-UHFFFAOYSA-N
XLogP5.20
TPSA121.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233731) is 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JKHVDHRWOLCNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O4S/c1-32(2,23-11-6-5-7-12-23)35-30(39)22-10-8-9-21(17-22)25-18-27-28(31(40)34-3)29(20-13-15-24(33)16-14-20)36-38(27)19-26(25)37-43(4,41)42/h5-19,37H,1-4H3,(H,34,40)(H,35,39).
What are the key properties of 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 599.69 g/mol, XLogP of 5.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).