6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H23N3O4S — CID 169303477

IUPAC6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(C(O)C(=O)N2CCc3nc(C4(c5cccs5)CC4)[nH]c(=O)c3C2)c1
InChIInChI=1S/C23H23N3O4S/c1-30-15-5-2-4-14(12-15)19(27)21(29)26-10-7-17-16(13-26)20(28)25-22(24-17)23(8-9-23)18-6-3-11-31-18/h2-6,11-12,19,27H,7-10,13H2,1H3,(H,24,25,28)
InChIKeyWRLVVNRONLACDT-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.54
Rot. Bonds5

About 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 169303477) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID169303477
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(C(O)C(=O)N2CCc3nc(C4(c5cccs5)CC4)[nH]c(=O)c3C2)c1
InChIInChI=1S/C23H23N3O4S/c1-30-15-5-2-4-14(12-15)19(27)21(29)26-10-7-17-16(13-26)20(28)25-22(24-17)23(8-9-23)18-6-3-11-31-18/h2-6,11-12,19,27H,7-10,13H2,1H3,(H,24,25,28)
InChIKeyWRLVVNRONLACDT-UHFFFAOYSA-N
XLogP2.54
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[2-hydroxy-2-[3-(trifluoromethylsulfanyl)phenyl]acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027206
6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027496
6-[(2R)-2-hydroxy-2-[3-(3-propan-2-yloxyphenyl)phenyl]acetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027514
3-[1-hydroxy-2-oxo-2-[4-oxo-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]ethyl]benzonitrile
CID 157028112
6-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-2-[1-(4-fluorophenyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027665
2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-hydroxy-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027620
6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(4-phenylphenyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028093
2-[1-(3-bromophenyl)cyclopropyl]-6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028001
6-[(2R)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetyl]-2-[1-(5-propan-2-yl-3-pyridinyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027548
6-[2-(3-bromophenyl)-2-hydroxyacetyl]-2-[1-(5-propan-2-yl-3-pyridinyl)cyclopropyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 166816012
6-[(2R)-2-(3-bromophenyl)-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027527
2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-hydroxy-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027745

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 169303477) is 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cccc(C(O)C(=O)N2CCc3nc(C4(c5cccs5)CC4)[nH]c(=O)c3C2)c1.
What is the InChIKey of 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WRLVVNRONLACDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-15-5-2-4-14(12-15)19(27)21(29)26-10-7-17-16(13-26)20(28)25-22(24-17)23(8-9-23)18-6-3-11-31-18/h2-6,11-12,19,27H,7-10,13H2,1H3,(H,24,25,28).
What are the key properties of 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 437.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-2-(3-methoxyphenyl)acetyl]-2-(1-thiophen-2-ylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 169303477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).