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

C35H36FN5O5S — CID 59233797

IUPAC2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCOC)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C35H36FN5O5S/c1-35(2,26-12-7-6-8-13-26)38-33(42)25-11-9-10-24(20-25)28-21-29-31(34(43)37-3)32(23-14-16-27(36)17-15-23)39-40(29)22-30(28)41(18-19-46-4)47(5,44)45/h6-17,20-22H,18-19H2,1-5H3,(H,37,43)(H,38,42)
InChIKeySGYSTBFKUSHLMI-UHFFFAOYSA-N
MW657.77 g/mol
LogP5.24
Rot. Bonds11

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

2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233797) has the molecular formula C35H36FN5O5S and a molecular weight of 657.77 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233797
Molecular FormulaC35H36FN5O5S
Molecular Weight657.77 g/mol
Exact Mass657.24
IUPAC Name2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCOC)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C35H36FN5O5S/c1-35(2,26-12-7-6-8-13-26)38-33(42)25-11-9-10-24(20-25)28-21-29-31(34(43)37-3)32(23-14-16-27(36)17-15-23)39-40(29)22-30(28)41(18-19-46-4)47(5,44)45/h6-17,20-22H,18-19H2,1-5H3,(H,37,43)(H,38,42)
InChIKeySGYSTBFKUSHLMI-UHFFFAOYSA-N
XLogP5.24
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.77
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233797) is 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-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-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCOC)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SGYSTBFKUSHLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN5O5S/c1-35(2,26-12-7-6-8-13-26)38-33(42)25-11-9-10-24(20-25)28-21-29-31(34(43)37-3)32(23-14-16-27(36)17-15-23)39-40(29)22-30(28)41(18-19-46-4)47(5,44)45/h6-17,20-22H,18-19H2,1-5H3,(H,37,43)(H,38,42).
What are the key properties of 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 657.77 g/mol, XLogP of 5.24, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).