6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C18H26N6O2 — CID 135944079

IUPAC6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1c(C)nn(C)c1N1CCOCC1)CC2
InChIInChI=1S/C18H26N6O2/c1-12-14(18(22(3)21-12)24-6-8-26-9-7-24)10-23-5-4-16-15(11-23)17(25)20-13(2)19-16/h4-11H2,1-3H3,(H,19,20,25)
InChIKeyMUSWKZWQBMHQSY-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.52
Rot. Bonds3

About 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944079) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944079
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1c(C)nn(C)c1N1CCOCC1)CC2
InChIInChI=1S/C18H26N6O2/c1-12-14(18(22(3)21-12)24-6-8-26-9-7-24)10-23-5-4-16-15(11-23)17(25)20-13(2)19-16/h4-11H2,1-3H3,(H,19,20,25)
InChIKeyMUSWKZWQBMHQSY-UHFFFAOYSA-N
XLogP0.52
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862437
4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine
CID 24912586
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861711
2-methylsulfonyl-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862441
2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944799
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943539
6-(1H-imidazol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861014
2-pyridin-4-yl-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862438
6-[(3,4-dichlorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674510
2-methyl-6-[(2,6,6-trimethylcyclohexen-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861931
6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862091
6-[[5-(hydroxymethyl)furan-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860994

Frequently Asked Questions

What is the IUPAC name of 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944079) is 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1c(C)nn(C)c1N1CCOCC1)CC2.
What is the InChIKey of 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MUSWKZWQBMHQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-14(18(22(3)21-12)24-6-8-26-9-7-24)10-23-5-4-16-15(11-23)17(25)20-13(2)19-16/h4-11H2,1-3H3,(H,19,20,25).
What are the key properties of 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 358.45 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).