3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one

C20H15N5OS2 — CID 7165118

IUPAC3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESNn1c(SCc2cn3ccccc3n2)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H15N5OS2/c21-25-19(26)17-15(13-6-2-1-3-7-13)12-27-18(17)23-20(25)28-11-14-10-24-9-5-4-8-16(24)22-14/h1-10,12H,11,21H2
InChIKeyJLQWIAJLRRKNHB-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.78
Rot. Bonds4

About 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one

3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 7165118) has the molecular formula C20H15N5OS2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID7165118
Molecular FormulaC20H15N5OS2
Molecular Weight405.51 g/mol
Exact Mass405.07
IUPAC Name3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESNn1c(SCc2cn3ccccc3n2)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H15N5OS2/c21-25-19(26)17-15(13-6-2-1-3-7-13)12-27-18(17)23-20(25)28-11-14-10-24-9-5-4-8-16(24)22-14/h1-10,12H,11,21H2
InChIKeyJLQWIAJLRRKNHB-UHFFFAOYSA-N
XLogP3.78
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

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2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
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2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one
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ethyl N-[2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]carbamate
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2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2619649
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2551427
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 55392501
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 4026422
3-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 7165118) is 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one is Nn1c(SCc2cn3ccccc3n2)nc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JLQWIAJLRRKNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS2/c21-25-19(26)17-15(13-6-2-1-3-7-13)12-27-18(17)23-20(25)28-11-14-10-24-9-5-4-8-16(24)22-14/h1-10,12H,11,21H2.
What are the key properties of 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one?
3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 405.51 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7165118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).