N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide

C25H19F3N4O2 — CID 46182957

IUPACN-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C25H19F3N4O2/c1-12-18(7-13(9-20(12)27)24(33)30-16-4-5-16)19-8-14-11-29-31-22(23(14)32(2)25(19)34)17-6-3-15(26)10-21(17)28/h3,6-11,16H,4-5H2,1-2H3,(H,30,33)
InChIKeyPITYNMYOESMSQK-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.28
Rot. Bonds4

About N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide

N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide (PubChem CID 46182957) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide
PubChem CID46182957
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC NameN-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C25H19F3N4O2/c1-12-18(7-13(9-20(12)27)24(33)30-16-4-5-16)19-8-14-11-29-31-22(23(14)32(2)25(19)34)17-6-3-15(26)10-21(17)28/h3,6-11,16H,4-5H2,1-2H3,(H,30,33)
InChIKeyPITYNMYOESMSQK-UHFFFAOYSA-N
XLogP4.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide (CID 46182957) is N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide?
The InChIKey is PITYNMYOESMSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-12-18(7-13(9-20(12)27)24(33)30-16-4-5-16)19-8-14-11-29-31-22(23(14)32(2)25(19)34)17-6-3-15(26)10-21(17)28/h3,6-11,16H,4-5H2,1-2H3,(H,30,33).
What are the key properties of N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide?
N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide has a molecular weight of 464.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 46182957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).