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

C16H15N5OS — CID 135942609

IUPAC2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1cscn1)CC2
InChIInChI=1S/C16H15N5OS/c22-16-13-8-21(7-12-9-23-10-18-12)5-3-14(13)19-15(20-16)11-2-1-4-17-6-11/h1-2,4,6,9-10H,3,5,7-8H2,(H,19,20,22)
InChIKeyAXMXHNHNDCOPKQ-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.85
Rot. Bonds3

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

2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942609) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135942609
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1cscn1)CC2
InChIInChI=1S/C16H15N5OS/c22-16-13-8-21(7-12-9-23-10-18-12)5-3-14(13)19-15(20-16)11-2-1-4-17-6-11/h1-2,4,6,9-10H,3,5,7-8H2,(H,19,20,22)
InChIKeyAXMXHNHNDCOPKQ-UHFFFAOYSA-N
XLogP1.85
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944567
6-[(3-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919112
6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
6-[(2-bromophenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917395
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707232
6-[(5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947340
2-pyridin-3-yl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916575
6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946467
6-[(5-ethylfuran-2-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861579
6-[(2,3-dimethylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916755
6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917335
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867209

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942609) is 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1cscn1)CC2.
What is the InChIKey of 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AXMXHNHNDCOPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-16-13-8-21(7-12-9-23-10-18-12)5-3-14(13)19-15(20-16)11-2-1-4-17-6-11/h1-2,4,6,9-10H,3,5,7-8H2,(H,19,20,22).
What are the key properties of 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 325.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).