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

C25H22FN5O2 — CID 52948220

IUPACN-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3C)c2n(C)c1=O
InChIInChI=1S/C25H22FN5O2/c1-13-8-16(26)4-7-18(13)22-23-15(12-28-30-22)9-20(25(33)31(23)3)19-10-21(27-11-14(19)2)24(32)29-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3,(H,29,32)
InChIKeyAOSIPYQGOSUFPT-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.71
Rot. Bonds4

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

N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide (PubChem CID 52948220) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
PubChem CID52948220
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC NameN-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3C)c2n(C)c1=O
InChIInChI=1S/C25H22FN5O2/c1-13-8-16(26)4-7-18(13)22-23-15(12-28-30-22)9-20(25(33)31(23)3)19-10-21(27-11-14(19)2)24(32)29-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3,(H,29,32)
InChIKeyAOSIPYQGOSUFPT-UHFFFAOYSA-N
XLogP3.71
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide (CID 52948220) is N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3C)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
The InChIKey is AOSIPYQGOSUFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-13-8-16(26)4-7-18(13)22-23-15(12-28-30-22)9-20(25(33)31(23)3)19-10-21(27-11-14(19)2)24(32)29-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3,(H,29,32).
What are the key properties of N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide?
N-cyclopropyl-4-[8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.71, 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-(4-fluoro-2-methylphenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 52948220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).