6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one

C19H18FN5OS — CID 156888735

IUPAC6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one
SMILESCn1cc2cc(-c3cc4ncn(C5CCNCC5)c(=O)c4s3)c(F)cc2n1
InChIInChI=1S/C19H18FN5OS/c1-24-9-11-6-13(14(20)7-15(11)23-24)17-8-16-18(27-17)19(26)25(10-22-16)12-2-4-21-5-3-12/h6-10,12,21H,2-5H2,1H3
InChIKeyUZZIMGRGGXCANR-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.08
Rot. Bonds2

About 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one

6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 156888735) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID156888735
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one
SMILESCn1cc2cc(-c3cc4ncn(C5CCNCC5)c(=O)c4s3)c(F)cc2n1
InChIInChI=1S/C19H18FN5OS/c1-24-9-11-6-13(14(20)7-15(11)23-24)17-8-16-18(27-17)19(26)25(10-22-16)12-2-4-21-5-3-12/h6-10,12,21H,2-5H2,1H3
InChIKeyUZZIMGRGGXCANR-UHFFFAOYSA-N
XLogP3.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one (CID 156888735) is 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one is Cn1cc2cc(-c3cc4ncn(C5CCNCC5)c(=O)c4s3)c(F)cc2n1.
What is the InChIKey of 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is UZZIMGRGGXCANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c1-24-9-11-6-13(14(20)7-15(11)23-24)17-8-16-18(27-17)19(26)25(10-22-16)12-2-4-21-5-3-12/h6-10,12,21H,2-5H2,1H3.
What are the key properties of 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one?
6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-methylindazol-5-yl)-3-piperidin-4-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 156888735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).