4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C23H22N4S — CID 2575882

IUPAC4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCC1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H22N4S/c1-16-9-12-27(13-10-16)22-20-19(17-6-3-2-4-7-17)15-28-23(20)26-21(25-22)18-8-5-11-24-14-18/h2-8,11,14-16H,9-10,12-13H2,1H3
InChIKeyHKKPMGMJGFXPTP-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.66
Rot. Bonds3

About 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 2575882) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID2575882
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCC1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H22N4S/c1-16-9-12-27(13-10-16)22-20-19(17-6-3-2-4-7-17)15-28-23(20)26-21(25-22)18-8-5-11-24-14-18/h2-8,11,14-16H,9-10,12-13H2,1H3
InChIKeyHKKPMGMJGFXPTP-UHFFFAOYSA-N
XLogP5.66
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine 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

5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 9195115
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
5-phenyl-2-pyridin-3-yl-4-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 55855653
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146396079
N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133278572
2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 18287796
4-[4-(2-fluorophenyl)piperazin-1-yl]-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 42909662
N-[(3R)-1,1-dioxothiolan-3-yl]-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 41138262
2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 30807164

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 2575882) is 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CC1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is HKKPMGMJGFXPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-16-9-12-27(13-10-16)22-20-19(17-6-3-2-4-7-17)15-28-23(20)26-21(25-22)18-8-5-11-24-14-18/h2-8,11,14-16H,9-10,12-13H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 386.52 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2575882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).