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

C20H24N6O — CID 136681187

IUPAC7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1nc(C)c(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1C
InChIInChI=1S/C20H24N6O/c1-4-26-14(3)17(13(2)24-26)11-25-9-7-16-18(12-25)22-19(23-20(16)27)15-6-5-8-21-10-15/h5-6,8,10H,4,7,9,11-12H2,1-3H3,(H,22,23,27)
InChIKeySRIURUOZESFNAR-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.22
Rot. Bonds4

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

7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681187) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136681187
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1nc(C)c(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1C
InChIInChI=1S/C20H24N6O/c1-4-26-14(3)17(13(2)24-26)11-25-9-7-16-18(12-25)22-19(23-20(16)27)15-6-5-8-21-10-15/h5-6,8,10H,4,7,9,11-12H2,1-3H3,(H,22,23,27)
InChIKeySRIURUOZESFNAR-UHFFFAOYSA-N
XLogP2.22
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681187) is 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCn1nc(C)c(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1C.
What is the InChIKey of 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SRIURUOZESFNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-26-14(3)17(13(2)24-26)11-25-9-7-16-18(12-25)22-19(23-20(16)27)15-6-5-8-21-10-15/h5-6,8,10H,4,7,9,11-12H2,1-3H3,(H,22,23,27).
What are the key properties of 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).