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

C22H19N5OS — CID 135947659

IUPAC6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1scnc1-c1ccccc1)CC2
InChIInChI=1S/C22H19N5OS/c28-22-17-12-27(13-19-20(24-14-29-19)15-4-2-1-3-5-15)11-8-18(17)25-21(26-22)16-6-9-23-10-7-16/h1-7,9-10,14H,8,11-13H2,(H,25,26,28)
InChIKeyBMEHWDAUGCYWGW-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.51
Rot. Bonds4

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

6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947659) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135947659
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1scnc1-c1ccccc1)CC2
InChIInChI=1S/C22H19N5OS/c28-22-17-12-27(13-19-20(24-14-29-19)15-4-2-1-3-5-15)11-8-18(17)25-21(26-22)16-6-9-23-10-7-16/h1-7,9-10,14H,8,11-13H2,(H,25,26,28)
InChIKeyBMEHWDAUGCYWGW-UHFFFAOYSA-N
XLogP3.51
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947670
6-(2-phenylethyl)-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137309732
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944886
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
2-(4-aminophenyl)-6-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916401
6-[(2-ethylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917731
6-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862558
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816
2-pyridin-4-yl-6-[(6-thiophen-2-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945306
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945123
2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942609
6-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917674

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947659) is 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1scnc1-c1ccccc1)CC2.
What is the InChIKey of 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BMEHWDAUGCYWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c28-22-17-12-27(13-19-20(24-14-29-19)15-4-2-1-3-5-15)11-8-18(17)25-21(26-22)16-6-9-23-10-7-16/h1-7,9-10,14H,8,11-13H2,(H,25,26,28).
What are the key properties of 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 401.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).