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

C35H33F2N5O4S — CID 59233661

IUPAC6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(C(=O)NC2(c3ccc(F)cc3)CC2)ccc1C)S(C)(=O)=O
InChIInChI=1S/C35H33F2N5O4S/c1-5-42(47(4,45)46)30-20-41-29(31(34(44)38-3)32(40-41)22-8-12-25(36)13-9-22)19-28(30)27-18-23(7-6-21(27)2)33(43)39-35(16-17-35)24-10-14-26(37)15-11-24/h6-15,18-20H,5,16-17H2,1-4H3,(H,38,44)(H,39,43)
InChIKeyDQIMXYDNQYUBJK-UHFFFAOYSA-N
MW657.74 g/mol
LogP5.82
Rot. Bonds9

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

6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233661) has the molecular formula C35H33F2N5O4S and a molecular weight of 657.74 g/mol. Its IUPAC name is 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233661
Molecular FormulaC35H33F2N5O4S
Molecular Weight657.74 g/mol
Exact Mass657.22
IUPAC Name6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(C(=O)NC2(c3ccc(F)cc3)CC2)ccc1C)S(C)(=O)=O
InChIInChI=1S/C35H33F2N5O4S/c1-5-42(47(4,45)46)30-20-41-29(31(34(44)38-3)32(40-41)22-8-12-25(36)13-9-22)19-28(30)27-18-23(7-6-21(27)2)33(43)39-35(16-17-35)24-10-14-26(37)15-11-24/h6-15,18-20H,5,16-17H2,1-4H3,(H,38,44)(H,39,43)
InChIKeyDQIMXYDNQYUBJK-UHFFFAOYSA-N
XLogP5.82
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.74
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233661) is 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(C(=O)NC2(c3ccc(F)cc3)CC2)ccc1C)S(C)(=O)=O.
What is the InChIKey of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DQIMXYDNQYUBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2N5O4S/c1-5-42(47(4,45)46)30-20-41-29(31(34(44)38-3)32(40-41)22-8-12-25(36)13-9-22)19-28(30)27-18-23(7-6-21(27)2)33(43)39-35(16-17-35)24-10-14-26(37)15-11-24/h6-15,18-20H,5,16-17H2,1-4H3,(H,38,44)(H,39,43).
What are the key properties of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 657.74 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[5-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).