4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C35H29F2N7O3 — CID 59233812

IUPAC4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5nc(-c6ccccc6)n[nH]5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C35H29F2N7O3/c1-19-17-26(47-3)25(32(45)40-35(14-15-35)34-39-31(41-42-34)21-7-5-4-6-8-21)18-24(19)23-13-16-44-30(28(23)37)27(33(46)38-2)29(43-44)20-9-11-22(36)12-10-20/h4-13,16-18H,14-15H2,1-3H3,(H,38,46)(H,40,45)(H,39,41,42)
InChIKeyRSGWGNFSMBQXES-UHFFFAOYSA-N
MW633.66 g/mol
LogP5.83
Rot. Bonds8

About 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233812) has the molecular formula C35H29F2N7O3 and a molecular weight of 633.66 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233812
Molecular FormulaC35H29F2N7O3
Molecular Weight633.66 g/mol
Exact Mass633.23
IUPAC Name4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5nc(-c6ccccc6)n[nH]5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C35H29F2N7O3/c1-19-17-26(47-3)25(32(45)40-35(14-15-35)34-39-31(41-42-34)21-7-5-4-6-8-21)18-24(19)23-13-16-44-30(28(23)37)27(33(46)38-2)29(43-44)20-9-11-22(36)12-10-20/h4-13,16-18H,14-15H2,1-3H3,(H,38,46)(H,40,45)(H,39,41,42)
InChIKeyRSGWGNFSMBQXES-UHFFFAOYSA-N
XLogP5.83
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.66
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233812) is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5nc(-c6ccccc6)n[nH]5)CC4)c(OC)cc3C)c(F)c12.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is RSGWGNFSMBQXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F2N7O3/c1-19-17-26(47-3)25(32(45)40-35(14-15-35)34-39-31(41-42-34)21-7-5-4-6-8-21)18-24(19)23-13-16-44-30(28(23)37)27(33(46)38-2)29(43-44)20-9-11-22(36)12-10-20/h4-13,16-18H,14-15H2,1-3H3,(H,38,46)(H,40,45)(H,39,41,42).
What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 633.66 g/mol, XLogP of 5.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).