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

C24H22N4O4 — CID 164517047

IUPAC3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Oc2ccc3ncc(N)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1
InChIInChI=1S/C24H22N4O4/c1-30-21-10-19(32-18-8-9-22-26-12-20(25)24(29)28(22)13-18)11-27-23(21)31-14-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-13,17H,6-7,14,25H2,1H3
InChIKeySXDILKBNVBBTJR-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.93
Rot. Bonds7

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

3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 164517047) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one
PubChem CID164517047
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Oc2ccc3ncc(N)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1
InChIInChI=1S/C24H22N4O4/c1-30-21-10-19(32-18-8-9-22-26-12-20(25)24(29)28(22)13-18)11-27-23(21)31-14-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-13,17H,6-7,14,25H2,1H3
InChIKeySXDILKBNVBBTJR-UHFFFAOYSA-N
XLogP3.93
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one (CID 164517047) is 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one is COc1cc(Oc2ccc3ncc(N)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1.
What is the InChIKey of 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SXDILKBNVBBTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-21-10-19(32-18-8-9-22-26-12-20(25)24(29)28(22)13-18)11-27-23(21)31-14-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-13,17H,6-7,14,25H2,1H3.
What are the key properties of 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one?
3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 430.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-[[6-[(4-cyclopropylphenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164517047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).