6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C24H28N6O2 — CID 71131660

IUPAC6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C2C=COC2)cc2c(C)nc(Nc3ccc(N4CCNCC4)cc3)nc21
InChIInChI=1S/C24H28N6O2/c1-3-30-22-20(14-21(23(30)31)17-8-13-32-15-17)16(2)26-24(28-22)27-18-4-6-19(7-5-18)29-11-9-25-10-12-29/h4-8,13-14,17,25H,3,9-12,15H2,1-2H3,(H,26,27,28)
InChIKeyHBKBHBZNYWEGJD-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.90
Rot. Bonds5

About 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71131660) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71131660
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C2C=COC2)cc2c(C)nc(Nc3ccc(N4CCNCC4)cc3)nc21
InChIInChI=1S/C24H28N6O2/c1-3-30-22-20(14-21(23(30)31)17-8-13-32-15-17)16(2)26-24(28-22)27-18-4-6-19(7-5-18)29-11-9-25-10-12-29/h4-8,13-14,17,25H,3,9-12,15H2,1-2H3,(H,26,27,28)
InChIKeyHBKBHBZNYWEGJD-UHFFFAOYSA-N
XLogP2.90
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
CID 71129330
6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 25096679
8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;dihydrochloride
CID 68605600
2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 69009267
2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-8-propyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 69012955
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934138
9-pentan-3-yl-2-(4-piperazin-1-ylanilino)-7H-purin-8-one
CID 58016031
5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one
CID 10138745
8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10141231
6-(4-methyl-2-piperidin-4-ylpyrimidin-5-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 90213085
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-4H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 123648115

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 71131660) is 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(C2C=COC2)cc2c(C)nc(Nc3ccc(N4CCNCC4)cc3)nc21.
What is the InChIKey of 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HBKBHBZNYWEGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-30-22-20(14-21(23(30)31)17-8-13-32-15-17)16(2)26-24(28-22)27-18-4-6-19(7-5-18)29-11-9-25-10-12-29/h4-8,13-14,17,25H,3,9-12,15H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 432.53 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71131660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).