[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

C20H22N6O — CID 133409016

IUPAC[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)cc1
InChIInChI=1S/C20H22N6O/c1-2-14-3-5-15(6-4-14)20(27)26-11-9-25(10-12-26)19-16-7-8-17(21)24-18(16)22-13-23-19/h3-8,13H,2,9-12H2,1H3,(H2,21,22,23,24)
InChIKeyUMEXEFBFJYMYLP-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.13
Rot. Bonds3

About [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 133409016) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
PubChem CID133409016
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)cc1
InChIInChI=1S/C20H22N6O/c1-2-14-3-5-15(6-4-14)20(27)26-11-9-25(10-12-26)19-16-7-8-17(21)24-18(16)22-13-23-19/h3-8,13H,2,9-12H2,1H3,(H2,21,22,23,24)
InChIKeyUMEXEFBFJYMYLP-UHFFFAOYSA-N
XLogP2.13
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone 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-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 34009296
(4-aminophenyl)-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062733
(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50841152
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 166307195
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 21062700
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407178
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
CID 69268412
(4-ethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56699638
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 56922533
[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062703

Frequently Asked Questions

What is the IUPAC name of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (CID 133409016) is [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)cc1.
What is the InChIKey of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is UMEXEFBFJYMYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-2-14-3-5-15(6-4-14)20(27)26-11-9-25(10-12-26)19-16-7-8-17(21)24-18(16)22-13-23-19/h3-8,13H,2,9-12H2,1H3,(H2,21,22,23,24).
What are the key properties of [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 362.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 133409016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).