N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C23H19F4N5O2 — CID 118560514

IUPACN-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESN#Cc1nc(Cn2ccc(NC(=O)Cc3ccc(OCC(F)(F)F)c(C4CC4)c3)n2)ccc1F
InChIInChI=1S/C23H19F4N5O2/c24-18-5-4-16(29-19(18)11-28)12-32-8-7-21(31-32)30-22(33)10-14-1-6-20(34-13-23(25,26)27)17(9-14)15-2-3-15/h1,4-9,15H,2-3,10,12-13H2,(H,30,31,33)
InChIKeyRWCQMJQLBJJMOO-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.34
Rot. Bonds8

About N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 118560514) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID118560514
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC NameN-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESN#Cc1nc(Cn2ccc(NC(=O)Cc3ccc(OCC(F)(F)F)c(C4CC4)c3)n2)ccc1F
InChIInChI=1S/C23H19F4N5O2/c24-18-5-4-16(29-19(18)11-28)12-32-8-7-21(31-32)30-22(33)10-14-1-6-20(34-13-23(25,26)27)17(9-14)15-2-3-15/h1,4-9,15H,2-3,10,12-13H2,(H,30,31,33)
InChIKeyRWCQMJQLBJJMOO-UHFFFAOYSA-N
XLogP4.34
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740685
N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740639
N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide
CID 118560211
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 118560580
2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
CID 126740640
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768
N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 135259858
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505664
N-[1-[(3-cyano-4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-cyanopropan-2-yl)phenyl]acetamide
CID 118560452
2-(4-cyclobutyloxyphenyl)-N-[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
CID 118560470
N-[1-[(4-cyano-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,3-difluorocyclobutyl)methoxy]phenyl]acetamide
CID 118560311
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 118560514) is N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is N#Cc1nc(Cn2ccc(NC(=O)Cc3ccc(OCC(F)(F)F)c(C4CC4)c3)n2)ccc1F.
What is the InChIKey of N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is RWCQMJQLBJJMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c24-18-5-4-16(29-19(18)11-28)12-32-8-7-21(31-32)30-22(33)10-14-1-6-20(34-13-23(25,26)27)17(9-14)15-2-3-15/h1,4-9,15H,2-3,10,12-13H2,(H,30,31,33).
What are the key properties of N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 473.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 118560514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).