7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C26H25N3O4 — CID 167008802

IUPAC7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1
InChIInChI=1S/C26H25N3O4/c1-3-31-23-12-22(33-21-10-11-24-27-13-17(2)26(30)29(24)15-21)14-28-25(23)32-16-18-4-6-19(7-5-18)20-8-9-20/h4-7,10-15,20H,3,8-9,16H2,1-2H3
InChIKeyKVBFHJFUQDAUQX-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.05
Rot. Bonds8

About 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008802) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008802
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1
InChIInChI=1S/C26H25N3O4/c1-3-31-23-12-22(33-21-10-11-24-27-13-17(2)26(30)29(24)15-21)14-28-25(23)32-16-18-4-6-19(7-5-18)20-8-9-20/h4-7,10-15,20H,3,8-9,16H2,1-2H3
InChIKeyKVBFHJFUQDAUQX-UHFFFAOYSA-N
XLogP5.05
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008802) is 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is CCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1.
What is the InChIKey of 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KVBFHJFUQDAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-3-31-23-12-22(33-21-10-11-24-27-13-17(2)26(30)29(24)15-21)14-28-25(23)32-16-18-4-6-19(7-5-18)20-8-9-20/h4-7,10-15,20H,3,8-9,16H2,1-2H3.
What are the key properties of 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 443.50 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(4-cyclopropylphenyl)methoxy]-5-ethoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).