N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide

C21H16F6N4O3 — CID 163405285

IUPACN-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccn(CC2CC2(F)F)n1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O
InChIInChI=1S/C21H16F6N4O3/c22-13-3-4-15(16(8-13)34-11-21(25,26)27)31-6-1-2-14(19(31)33)18(32)28-17-5-7-30(29-17)10-12-9-20(12,23)24/h1-8,12H,9-11H2,(H,28,29,32)
InChIKeyAROVRACGXWKSQY-UHFFFAOYSA-N
MW486.37 g/mol
LogP4.02
Rot. Bonds7

About N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide

N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 163405285) has the molecular formula C21H16F6N4O3 and a molecular weight of 486.37 g/mol. Its IUPAC name is N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID163405285
Molecular FormulaC21H16F6N4O3
Molecular Weight486.37 g/mol
Exact Mass486.11
IUPAC NameN-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccn(CC2CC2(F)F)n1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O
InChIInChI=1S/C21H16F6N4O3/c22-13-3-4-15(16(8-13)34-11-21(25,26)27)31-6-1-2-14(19(31)33)18(32)28-17-5-7-30(29-17)10-12-9-20(12,23)24/h1-8,12H,9-11H2,(H,28,29,32)
InChIKeyAROVRACGXWKSQY-UHFFFAOYSA-N
XLogP4.02
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide (CID 163405285) is N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccn(CC2CC2(F)F)n1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O.
What is the InChIKey of N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is AROVRACGXWKSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N4O3/c22-13-3-4-15(16(8-13)34-11-21(25,26)27)31-6-1-2-14(19(31)33)18(32)28-17-5-7-30(29-17)10-12-9-20(12,23)24/h1-8,12H,9-11H2,(H,28,29,32).
What are the key properties of N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide?
N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 486.37 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-3-yl]-1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 163405285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).