N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide

C25H19F4N5O2 — CID 52948227

IUPACN-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(C(F)(F)F)cc3F)c2n(C)c1=O
InChIInChI=1S/C25H19F4N5O2/c1-12-10-30-20(23(35)32-15-4-5-15)9-17(12)18-7-13-11-31-33-21(22(13)34(2)24(18)36)16-6-3-14(8-19(16)26)25(27,28)29/h3,6-11,15H,4-5H2,1-2H3,(H,32,35)
InChIKeyGDXZOJVRIMPLOZ-UHFFFAOYSA-N
MW497.45 g/mol
LogP4.42
Rot. Bonds4

About N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide

N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide (PubChem CID 52948227) has the molecular formula C25H19F4N5O2 and a molecular weight of 497.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
PubChem CID52948227
Molecular FormulaC25H19F4N5O2
Molecular Weight497.45 g/mol
Exact Mass497.15
IUPAC NameN-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(C(F)(F)F)cc3F)c2n(C)c1=O
InChIInChI=1S/C25H19F4N5O2/c1-12-10-30-20(23(35)32-15-4-5-15)9-17(12)18-7-13-11-31-33-21(22(13)34(2)24(18)36)16-6-3-14(8-19(16)26)25(27,28)29/h3,6-11,15H,4-5H2,1-2H3,(H,32,35)
InChIKeyGDXZOJVRIMPLOZ-UHFFFAOYSA-N
XLogP4.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide (CID 52948227) is N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(C(F)(F)F)cc3F)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The InChIKey is GDXZOJVRIMPLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O2/c1-12-10-30-20(23(35)32-15-4-5-15)9-17(12)18-7-13-11-31-33-21(22(13)34(2)24(18)36)16-6-3-14(8-19(16)26)25(27,28)29/h3,6-11,15H,4-5H2,1-2H3,(H,32,35).
What are the key properties of N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide has a molecular weight of 497.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 52948227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).