5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

C17H17N5O2 — CID 66959596

IUPAC5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C17H17N5O2/c1-22-9-19-13-7-12(10-3-6-14(24-2)18-8-10)21-16(15(13)17(22)23)20-11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,20,21)
InChIKeyODPCGDZYDQYJQG-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.97
Rot. Bonds4

About 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959596) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959596
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C17H17N5O2/c1-22-9-19-13-7-12(10-3-6-14(24-2)18-8-10)21-16(15(13)17(22)23)20-11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,20,21)
InChIKeyODPCGDZYDQYJQG-UHFFFAOYSA-N
XLogP1.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959596) is 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1.
What is the InChIKey of 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ODPCGDZYDQYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-9-19-13-7-12(10-3-6-14(24-2)18-8-10)21-16(15(13)17(22)23)20-11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,20,21).
What are the key properties of 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 323.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).