(5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone

C24H30N6OS — CID 162748537

IUPAC(5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(c3ncnc4cc(N5CCN(C)CC5)cnc34)CC2)s1
InChIInChI=1S/C24H30N6OS/c1-3-19-4-5-21(32-19)24(31)30-8-6-17(7-9-30)22-23-20(26-16-27-22)14-18(15-25-23)29-12-10-28(2)11-13-29/h4-5,14-17H,3,6-13H2,1-2H3
InChIKeyKWKWPMXZEAJMPE-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.42
Rot. Bonds4

About (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone

(5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 162748537) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID162748537
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC Name(5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(c3ncnc4cc(N5CCN(C)CC5)cnc34)CC2)s1
InChIInChI=1S/C24H30N6OS/c1-3-19-4-5-21(32-19)24(31)30-8-6-17(7-9-30)22-23-20(26-16-27-22)14-18(15-25-23)29-12-10-28(2)11-13-29/h4-5,14-17H,3,6-13H2,1-2H3
InChIKeyKWKWPMXZEAJMPE-UHFFFAOYSA-N
XLogP3.42
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]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-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)thiophen-2-yl]methanone
CID 162748542
isoquinolin-3-yl-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748362
(1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748461
[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 162748462
[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 162748547
(2Z)-4-methyl-1-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-2-methylsulfanylpenta-2,4-dien-1-one
CID 162748724
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[7-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748701
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51942650

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone (CID 162748537) is (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(c3ncnc4cc(N5CCN(C)CC5)cnc34)CC2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is KWKWPMXZEAJMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-3-19-4-5-21(32-19)24(31)30-8-6-17(7-9-30)22-23-20(26-16-27-22)14-18(15-25-23)29-12-10-28(2)11-13-29/h4-5,14-17H,3,6-13H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
(5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 450.61 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162748537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).