6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H16ClN5OS — CID 135943776

IUPAC6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1ncc(CN2CCc3nc(-c4ccc(Cl)cc4)[nH]c(=O)c3C2)s1
InChIInChI=1S/C17H16ClN5OS/c18-11-3-1-10(2-4-11)15-21-14-5-6-23(9-13(14)16(24)22-15)8-12-7-20-17(19)25-12/h1-4,7H,5-6,8-9H2,(H2,19,20)(H,21,22,24)
InChIKeyNNFGBDZTZLLXEQ-UHFFFAOYSA-N
MW373.87 g/mol
LogP2.69
Rot. Bonds3

About 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943776) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943776
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1ncc(CN2CCc3nc(-c4ccc(Cl)cc4)[nH]c(=O)c3C2)s1
InChIInChI=1S/C17H16ClN5OS/c18-11-3-1-10(2-4-11)15-21-14-5-6-23(9-13(14)16(24)22-15)8-12-7-20-17(19)25-12/h1-4,7H,5-6,8-9H2,(H2,19,20)(H,21,22,24)
InChIKeyNNFGBDZTZLLXEQ-UHFFFAOYSA-N
XLogP2.69
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-6-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943038
2-(4-chlorophenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943058
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943267
6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945196
2-(4-chlorophenyl)-6-[(3,4-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918282
6-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946442
2-(4-chlorophenyl)-6-[(5-ethylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861588
6-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946448
5-[[2-(4-chlorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate
CID 135860949
2-(4-aminophenyl)-6-[(5-phenylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942895
2-(4-chlorophenyl)-6-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916404

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943776) is 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1ncc(CN2CCc3nc(-c4ccc(Cl)cc4)[nH]c(=O)c3C2)s1.
What is the InChIKey of 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NNFGBDZTZLLXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c18-11-3-1-10(2-4-11)15-21-14-5-6-23(9-13(14)16(24)22-15)8-12-7-20-17(19)25-12/h1-4,7H,5-6,8-9H2,(H2,19,20)(H,21,22,24).
What are the key properties of 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 373.87 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).