2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one

C18H20N6O — CID 139891033

IUPAC2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(c2nc(Nc3ccccc3)nc3[nH]c(=O)ccc23)CC1
InChIInChI=1S/C18H20N6O/c1-23-9-11-24(12-10-23)17-14-7-8-15(25)20-16(14)21-18(22-17)19-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H2,19,20,21,22,25)
InChIKeyOHKGUBMWUXPABR-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.81
Rot. Bonds3

About 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one

2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 139891033) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID139891033
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(c2nc(Nc3ccccc3)nc3[nH]c(=O)ccc23)CC1
InChIInChI=1S/C18H20N6O/c1-23-9-11-24(12-10-23)17-14-7-8-15(25)20-16(14)21-18(22-17)19-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H2,19,20,21,22,25)
InChIKeyOHKGUBMWUXPABR-UHFFFAOYSA-N
XLogP1.81
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7162562
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
6-(2-chlorophenyl)-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 137437129
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 769569
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 166072364
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172
6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine
CID 23490122
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 140608262
ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
CID 143177747

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 139891033) is 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one is CN1CCN(c2nc(Nc3ccccc3)nc3[nH]c(=O)ccc23)CC1.
What is the InChIKey of 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OHKGUBMWUXPABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-9-11-24(12-10-23)17-14-7-8-15(25)20-16(14)21-18(22-17)19-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H2,19,20,21,22,25).
What are the key properties of 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 336.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 139891033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).