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

C25H20F2N4O2 — CID 46182955

IUPACN-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C25H20F2N4O2/c1-13-3-4-14(24(32)29-17-6-7-17)9-19(13)20-10-15-12-28-30-22(23(15)31(2)25(20)33)18-8-5-16(26)11-21(18)27/h3-5,8-12,17H,6-7H2,1-2H3,(H,29,32)
InChIKeyDJVJIKNOMJTHOH-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.14
Rot. Bonds4

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

N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide (PubChem CID 46182955) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide
PubChem CID46182955
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C25H20F2N4O2/c1-13-3-4-14(24(32)29-17-6-7-17)9-19(13)20-10-15-12-28-30-22(23(15)31(2)25(20)33)18-8-5-16(26)11-21(18)27/h3-5,8-12,17H,6-7H2,1-2H3,(H,29,32)
InChIKeyDJVJIKNOMJTHOH-UHFFFAOYSA-N
XLogP4.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.14
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]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide (CID 46182955) is N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-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]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide is Cc1ccc(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]-4-methylbenzamide?
The InChIKey is DJVJIKNOMJTHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c1-13-3-4-14(24(32)29-17-6-7-17)9-19(13)20-10-15-12-28-30-22(23(15)31(2)25(20)33)18-8-5-16(26)11-21(18)27/h3-5,8-12,17H,6-7H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide?
N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide has a molecular weight of 446.46 g/mol, XLogP of 4.14, 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]-4-methylbenzamide is sourced from PubChem (CID 46182955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).