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

C22H22FN5OS — CID 135943984

IUPAC6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1nc(-c3ccc(F)cc3)cs1)CC2
InChIInChI=1S/C22H22FN5OS/c23-15-6-4-14(5-7-15)19-13-30-20(25-19)12-28-10-8-17-16(11-28)22(29)27-21(26-17)18-3-1-2-9-24-18/h4-7,13H,1-3,8-12H2,(H,26,27,29)
InChIKeyUNNOQWMTTNTRLK-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.56
Rot. Bonds4

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

6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943984) has the molecular formula C22H22FN5OS and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943984
Molecular FormulaC22H22FN5OS
Molecular Weight423.52 g/mol
Exact Mass423.15
IUPAC Name6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1nc(-c3ccc(F)cc3)cs1)CC2
InChIInChI=1S/C22H22FN5OS/c23-15-6-4-14(5-7-15)19-13-30-20(25-19)12-28-10-8-17-16(11-28)22(29)27-21(26-17)18-3-1-2-9-24-18/h4-7,13H,1-3,8-12H2,(H,26,27,29)
InChIKeyUNNOQWMTTNTRLK-UHFFFAOYSA-N
XLogP3.56
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-amino-6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943985
6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943979
6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946724
6-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947677
6-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919268
6-(pyrimidin-5-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944884
6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919786
2-fluoro-4-[[4-oxo-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 135919487
6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943958
6-[(3-chloro-2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918589
6-(1H-pyrrol-2-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861059
6-[(2,4-dihydroxyphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916972

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943984) is 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1nc(-c3ccc(F)cc3)cs1)CC2.
What is the InChIKey of 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UNNOQWMTTNTRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS/c23-15-6-4-14(5-7-15)19-13-30-20(25-19)12-28-10-8-17-16(11-28)22(29)27-21(26-17)18-3-1-2-9-24-18/h4-7,13H,1-3,8-12H2,(H,26,27,29).
What are the key properties of 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 423.52 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).