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

C24H19F2N5O2 — CID 46184146

IUPACN-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C24H19F2N5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-17(12)18-7-13-11-28-30-21(22(13)31(2)24(18)33)16-6-3-14(25)8-19(16)26/h3,6-11,15H,4-5H2,1-2H3,(H,29,32)
InChIKeyCYSNCSFWMHJHCY-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.54
Rot. Bonds4

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

N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide (PubChem CID 46184146) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
PubChem CID46184146
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC NameN-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C24H19F2N5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-17(12)18-7-13-11-28-30-21(22(13)31(2)24(18)33)16-6-3-14(25)8-19(16)26/h3,6-11,15H,4-5H2,1-2H3,(H,29,32)
InChIKeyCYSNCSFWMHJHCY-UHFFFAOYSA-N
XLogP3.54
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.54
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-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide (CID 46184146) is N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The InChIKey is CYSNCSFWMHJHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-17(12)18-7-13-11-28-30-21(22(13)31(2)24(18)33)16-6-3-14(25)8-19(16)26/h3,6-11,15H,4-5H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
N-cyclopropyl-4-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide has a molecular weight of 447.45 g/mol, XLogP of 3.54, 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-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 46184146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).