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

C24H20ClN5O2 — CID 52947611

IUPAC4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O
InChIInChI=1S/C24H20ClN5O2/c1-13-11-26-20(23(31)28-15-7-8-15)10-17(13)18-9-14-12-27-29-21(22(14)30(2)24(18)32)16-5-3-4-6-19(16)25/h3-6,9-12,15H,7-8H2,1-2H3,(H,28,31)
InChIKeyALYPQXYSZZYLHH-UHFFFAOYSA-N
MW445.91 g/mol
LogP3.91
Rot. Bonds4

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

4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide (PubChem CID 52947611) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide
PubChem CID52947611
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O
InChIInChI=1S/C24H20ClN5O2/c1-13-11-26-20(23(31)28-15-7-8-15)10-17(13)18-9-14-12-27-29-21(22(14)30(2)24(18)32)16-5-3-4-6-19(16)25/h3-6,9-12,15H,7-8H2,1-2H3,(H,28,31)
InChIKeyALYPQXYSZZYLHH-UHFFFAOYSA-N
XLogP3.91
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide (CID 52947611) is 4-[8-(2-chlorophenyl)-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-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O.
What is the InChIKey of 4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
The InChIKey is ALYPQXYSZZYLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-13-11-26-20(23(31)28-15-7-8-15)10-17(13)18-9-14-12-27-29-21(22(14)30(2)24(18)32)16-5-3-4-6-19(16)25/h3-6,9-12,15H,7-8H2,1-2H3,(H,28,31).
What are the key properties of 4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide?
4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N-cyclopropyl-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 52947611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).