2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H21N5O2 — CID 136761506

IUPAC2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCn1ncc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c1C
InChIInChI=1S/C16H21N5O2/c1-4-6-21-10(2)13(8-17-21)16(23)20-7-5-12-14(9-20)18-11(3)19-15(12)22/h8H,4-7,9H2,1-3H3,(H,18,19,22)
InChIKeyLKLDUDYXUWOVPQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136761506) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136761506
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCn1ncc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c1C
InChIInChI=1S/C16H21N5O2/c1-4-6-21-10(2)13(8-17-21)16(23)20-7-5-12-14(9-20)18-11(3)19-15(12)22/h8H,4-7,9H2,1-3H3,(H,18,19,22)
InChIKeyLKLDUDYXUWOVPQ-UHFFFAOYSA-N
XLogP1.19
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136761506) is 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCn1ncc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c1C.
What is the InChIKey of 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LKLDUDYXUWOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-6-21-10(2)13(8-17-21)16(23)20-7-5-12-14(9-20)18-11(3)19-15(12)22/h8H,4-7,9H2,1-3H3,(H,18,19,22).
What are the key properties of 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 315.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136761506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).