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

C25H21ClN6OS — CID 135944866

IUPAC6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(Cc3cnc(Cl)s3)c3ccccc13)CC2
InChIInChI=1S/C25H21ClN6OS/c26-25-28-11-18(34-25)14-32-13-17(19-3-1-2-4-22(19)32)12-31-10-7-21-20(15-31)24(33)30-23(29-21)16-5-8-27-9-6-16/h1-6,8-9,11,13H,7,10,12,14-15H2,(H,29,30,33)
InChIKeyFTFHEPQJRQMVKO-UHFFFAOYSA-N
MW489.00 g/mol
LogP4.50
Rot. Bonds5

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

6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944866) has the molecular formula C25H21ClN6OS and a molecular weight of 489.00 g/mol. Its IUPAC name is 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944866
Molecular FormulaC25H21ClN6OS
Molecular Weight489.00 g/mol
Exact Mass488.12
IUPAC Name6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(Cc3cnc(Cl)s3)c3ccccc13)CC2
InChIInChI=1S/C25H21ClN6OS/c26-25-28-11-18(34-25)14-32-13-17(19-3-1-2-4-22(19)32)12-31-10-7-21-20(15-31)24(33)30-23(29-21)16-5-8-27-9-6-16/h1-6,8-9,11,13H,7,10,12,14-15H2,(H,29,30,33)
InChIKeyFTFHEPQJRQMVKO-UHFFFAOYSA-N
XLogP4.50
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861521
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
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-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943776
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944886
6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944266
6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
6-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917674
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
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-[(5-iodofuran-2-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862418
6-[(2-chloro-6-methylphenyl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917614

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944866) is 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(Cc3cnc(Cl)s3)c3ccccc13)CC2.
What is the InChIKey of 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FTFHEPQJRQMVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6OS/c26-25-28-11-18(34-25)14-32-13-17(19-3-1-2-4-22(19)32)12-31-10-7-21-20(15-31)24(33)30-23(29-21)16-5-8-27-9-6-16/h1-6,8-9,11,13H,7,10,12,14-15H2,(H,29,30,33).
What are the key properties of 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 489.00 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).