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

C23H22N4S — CID 4834494

IUPAC4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCC1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C23H22N4S/c1-16-7-6-12-27(14-16)22-20-19(17-8-3-2-4-9-17)15-28-23(20)26-21(25-22)18-10-5-11-24-13-18/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3
InChIKeyCIKJUBWQMFXUKK-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.66
Rot. Bonds3

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

4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 4834494) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID4834494
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCC1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C1
InChIInChI=1S/C23H22N4S/c1-16-7-6-12-27(14-16)22-20-19(17-8-3-2-4-9-17)15-28-23(20)26-21(25-22)18-10-5-11-24-13-18/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3
InChIKeyCIKJUBWQMFXUKK-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 4834494) is 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CC1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is CIKJUBWQMFXUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-16-7-6-12-27(14-16)22-20-19(17-8-3-2-4-9-17)15-28-23(20)26-21(25-22)18-10-5-11-24-13-18/h2-5,8-11,13,15-16H,6-7,12,14H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-(3-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-(3-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 4834494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).