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

C34H33FN4O6S — CID 59233818

IUPACmethyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCO)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C34H33FN4O6S/c1-34(2,25-11-6-5-7-12-25)36-32(41)24-10-8-9-23(19-24)27-20-28-30(33(42)45-3)31(22-13-15-26(35)16-14-22)37-38(28)21-29(27)39(17-18-40)46(4,43)44/h5-16,19-21,40H,17-18H2,1-4H3,(H,36,41)
InChIKeyRHPCAXIRGXZYEK-UHFFFAOYSA-N
MW644.73 g/mol
LogP5.02
Rot. Bonds10

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

methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 59233818) has the molecular formula C34H33FN4O6S and a molecular weight of 644.73 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID59233818
Molecular FormulaC34H33FN4O6S
Molecular Weight644.73 g/mol
Exact Mass644.21
IUPAC Namemethyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCO)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C34H33FN4O6S/c1-34(2,25-11-6-5-7-12-25)36-32(41)24-10-8-9-23(19-24)27-20-28-30(33(42)45-3)31(22-13-15-26(35)16-14-22)37-38(28)21-29(27)39(17-18-40)46(4,43)44/h5-16,19-21,40H,17-18H2,1-4H3,(H,36,41)
InChIKeyRHPCAXIRGXZYEK-UHFFFAOYSA-N
XLogP5.02
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.73
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 59233818) is methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCO)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is RHPCAXIRGXZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN4O6S/c1-34(2,25-11-6-5-7-12-25)36-32(41)24-10-8-9-23(19-24)27-20-28-30(33(42)45-3)31(22-13-15-26(35)16-14-22)37-38(28)21-29(27)39(17-18-40)46(4,43)44/h5-16,19-21,40H,17-18H2,1-4H3,(H,36,41).
What are the key properties of methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 644.73 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 59233818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).