N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide

C25H20F3N5O2 — CID 52945802

IUPACN-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3C(F)(F)F)c2n(C)c1=O
InChIInChI=1S/C25H20F3N5O2/c1-13-11-29-20(23(34)31-15-7-8-15)10-17(13)18-9-14-12-30-32-21(22(14)33(2)24(18)35)16-5-3-4-6-19(16)25(26,27)28/h3-6,9-12,15H,7-8H2,1-2H3,(H,31,34)
InChIKeyDAADQLRKCRTURV-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.28
Rot. Bonds4

About N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide

N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide (PubChem CID 52945802) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide
PubChem CID52945802
Molecular FormulaC25H20F3N5O2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC NameN-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3C(F)(F)F)c2n(C)c1=O
InChIInChI=1S/C25H20F3N5O2/c1-13-11-29-20(23(34)31-15-7-8-15)10-17(13)18-9-14-12-30-32-21(22(14)33(2)24(18)35)16-5-3-4-6-19(16)25(26,27)28/h3-6,9-12,15H,7-8H2,1-2H3,(H,31,34)
InChIKeyDAADQLRKCRTURV-UHFFFAOYSA-N
XLogP4.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide (CID 52945802) is N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3C(F)(F)F)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
The InChIKey is DAADQLRKCRTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c1-13-11-29-20(23(34)31-15-7-8-15)10-17(13)18-9-14-12-30-32-21(22(14)33(2)24(18)35)16-5-3-4-6-19(16)25(26,27)28/h3-6,9-12,15H,7-8H2,1-2H3,(H,31,34).
What are the key properties of N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-4-[1-methyl-2-oxo-8-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52945802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).