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

C22H32N6OS — CID 135943077

IUPAC2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCN(c2ncc(CN3CCc4nc(C5CCCCC5)[nH]c(=O)c4C3)s2)CC1
InChIInChI=1S/C22H32N6OS/c1-26-9-11-28(12-10-26)22-23-13-17(30-22)14-27-8-7-19-18(15-27)21(29)25-20(24-19)16-5-3-2-4-6-16/h13,16H,2-12,14-15H2,1H3,(H,24,25,29)
InChIKeyDPJZHYHEDCECNA-UHFFFAOYSA-N
MW428.61 g/mol
LogP2.58
Rot. Bonds4

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

2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943077) has the molecular formula C22H32N6OS and a molecular weight of 428.61 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943077
Molecular FormulaC22H32N6OS
Molecular Weight428.61 g/mol
Exact Mass428.24
IUPAC Name2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCN(c2ncc(CN3CCc4nc(C5CCCCC5)[nH]c(=O)c4C3)s2)CC1
InChIInChI=1S/C22H32N6OS/c1-26-9-11-28(12-10-26)22-23-13-17(30-22)14-27-8-7-19-18(15-27)21(29)25-20(24-19)16-5-3-2-4-6-16/h13,16H,2-12,14-15H2,1H3,(H,24,25,29)
InChIKeyDPJZHYHEDCECNA-UHFFFAOYSA-N
XLogP2.58
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyl-6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947628
2-cyclopropyl-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946272
2-cyclohexyl-6-[(5-thiophen-2-ylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861807
2-cyclohexyl-6-[(1-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944835
2-cyclohexyl-6-[(5-methylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860970
6-[(6-bromo-3-pyridinyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945275
2-cyclohexyl-6-[(2-methyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947828
6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862067
2-cyclohexyl-6-[(3,5-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918520
2-cyclohexyl-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945215
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918242
2-cyclohexyl-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917263

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943077) is 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CN1CCN(c2ncc(CN3CCc4nc(C5CCCCC5)[nH]c(=O)c4C3)s2)CC1.
What is the InChIKey of 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DPJZHYHEDCECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6OS/c1-26-9-11-28(12-10-26)22-23-13-17(30-22)14-27-8-7-19-18(15-27)21(29)25-20(24-19)16-5-3-2-4-6-16/h13,16H,2-12,14-15H2,1H3,(H,24,25,29).
What are the key properties of 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 428.61 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).