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

C24H19ClFN5O2 — CID 52942156

IUPAC4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3cc(F)ccc3Cl)c2n(C)c1=O
InChIInChI=1S/C24H19ClFN5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-16(12)17-7-13-11-28-30-21(22(13)31(2)24(17)33)18-8-14(26)3-6-19(18)25/h3,6-11,15H,4-5H2,1-2H3,(H,29,32)
InChIKeyIEIPJZQZPPGGNZ-UHFFFAOYSA-N
MW463.90 g/mol
LogP4.05
Rot. Bonds4

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

4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide (PubChem CID 52942156) has the molecular formula C24H19ClFN5O2 and a molecular weight of 463.90 g/mol. Its IUPAC name is 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide
PubChem CID52942156
Molecular FormulaC24H19ClFN5O2
Molecular Weight463.90 g/mol
Exact Mass463.12
IUPAC Name4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3cc(F)ccc3Cl)c2n(C)c1=O
InChIInChI=1S/C24H19ClFN5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-16(12)17-7-13-11-28-30-21(22(13)31(2)24(17)33)18-8-14(26)3-6-19(18)25/h3,6-11,15H,4-5H2,1-2H3,(H,29,32)
InChIKeyIEIPJZQZPPGGNZ-UHFFFAOYSA-N
XLogP4.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide (CID 52942156) is 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3cc(F)ccc3Cl)c2n(C)c1=O.
What is the InChIKey of 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
The InChIKey is IEIPJZQZPPGGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-16(12)17-7-13-11-28-30-21(22(13)31(2)24(17)33)18-8-14(26)3-6-19(18)25/h3,6-11,15H,4-5H2,1-2H3,(H,29,32).
What are the key properties of 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide has a molecular weight of 463.90 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2-chloro-5-fluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 52942156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).