5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C21H23FN4O4S — CID 59233693

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C21H23FN4O4S/c1-23-21(28)19-17-11-16(13-3-4-13)18(26(9-10-27)31(2,29)30)12-25(17)24-20(19)14-5-7-15(22)8-6-14/h5-8,11-13,27H,3-4,9-10H2,1-2H3,(H,23,28)
InChIKeyLHWMPGPGIQHVJQ-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.14
Rot. Bonds7

About 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233693) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233693
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C21H23FN4O4S/c1-23-21(28)19-17-11-16(13-3-4-13)18(26(9-10-27)31(2,29)30)12-25(17)24-20(19)14-5-7-15(22)8-6-14/h5-8,11-13,27H,3-4,9-10H2,1-2H3,(H,23,28)
InChIKeyLHWMPGPGIQHVJQ-UHFFFAOYSA-N
XLogP2.14
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233693) is 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LHWMPGPGIQHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-23-21(28)19-17-11-16(13-3-4-13)18(26(9-10-27)31(2,29)30)12-25(17)24-20(19)14-5-7-15(22)8-6-14/h5-8,11-13,27H,3-4,9-10H2,1-2H3,(H,23,28).
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).