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

C24H17ClF2N4O2 — CID 46182958

IUPAC4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide
SMILESCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C24H17ClF2N4O2/c1-31-22-13(11-28-30-21(22)16-6-3-14(26)10-20(16)27)9-18(24(31)33)17-8-12(2-7-19(17)25)23(32)29-15-4-5-15/h2-3,6-11,15H,4-5H2,1H3,(H,29,32)
InChIKeySWJTXOSGCSCEGV-UHFFFAOYSA-N
MW466.88 g/mol
LogP4.49
Rot. Bonds4

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

4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide (PubChem CID 46182958) has the molecular formula C24H17ClF2N4O2 and a molecular weight of 466.88 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide
PubChem CID46182958
Molecular FormulaC24H17ClF2N4O2
Molecular Weight466.88 g/mol
Exact Mass466.10
IUPAC Name4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide
SMILESCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C24H17ClF2N4O2/c1-31-22-13(11-28-30-21(22)16-6-3-14(26)10-20(16)27)9-18(24(31)33)17-8-12(2-7-19(17)25)23(32)29-15-4-5-15/h2-3,6-11,15H,4-5H2,1H3,(H,29,32)
InChIKeySWJTXOSGCSCEGV-UHFFFAOYSA-N
XLogP4.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide (CID 46182958) is 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide is Cn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnnc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide?
The InChIKey is SWJTXOSGCSCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N4O2/c1-31-22-13(11-28-30-21(22)16-6-3-14(26)10-20(16)27)9-18(24(31)33)17-8-12(2-7-19(17)25)23(32)29-15-4-5-15/h2-3,6-11,15H,4-5H2,1H3,(H,29,32).
What are the key properties of 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide?
4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide has a molecular weight of 466.88 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]benzamide is sourced from PubChem (CID 46182958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).