7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C17H19N5O2 — CID 66959751

IUPAC7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cncc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)c1
InChIInChI=1S/C17H19N5O2/c1-10(2)20-16-15-14(19-9-22(3)17(15)23)6-13(21-16)11-5-12(24-4)8-18-7-11/h5-10H,1-4H3,(H,20,21)
InChIKeyWRJBXRUVDQQUAD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.22
Rot. Bonds4

About 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959751) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959751
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cncc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)c1
InChIInChI=1S/C17H19N5O2/c1-10(2)20-16-15-14(19-9-22(3)17(15)23)6-13(21-16)11-5-12(24-4)8-18-7-11/h5-10H,1-4H3,(H,20,21)
InChIKeyWRJBXRUVDQQUAD-UHFFFAOYSA-N
XLogP2.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959751) is 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is COc1cncc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)c1.
What is the InChIKey of 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WRJBXRUVDQQUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(2)20-16-15-14(19-9-22(3)17(15)23)6-13(21-16)11-5-12(24-4)8-18-7-11/h5-10H,1-4H3,(H,20,21).
What are the key properties of 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).