(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate

C19H16F2N2O5 — CID 7680304

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)ccc1OC(F)F
InChIInChI=1S/C19H16F2N2O5/c1-11-3-6-16-22-13(8-17(24)23(16)9-11)10-27-18(25)12-4-5-14(28-19(20)21)15(7-12)26-2/h3-9,19H,10H2,1-2H3
InChIKeyDYODADKPIMXMKG-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.97
Rot. Bonds6

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 7680304) has the molecular formula C19H16F2N2O5 and a molecular weight of 390.34 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID7680304
Molecular FormulaC19H16F2N2O5
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)ccc1OC(F)F
InChIInChI=1S/C19H16F2N2O5/c1-11-3-6-16-22-13(8-17(24)23(16)9-11)10-27-18(25)12-4-5-14(28-19(20)21)15(7-12)26-2/h3-9,19H,10H2,1-2H3
InChIKeyDYODADKPIMXMKG-UHFFFAOYSA-N
XLogP2.97
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate (CID 7680304) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)ccc1OC(F)F.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is DYODADKPIMXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O5/c1-11-3-6-16-22-13(8-17(24)23(16)9-11)10-27-18(25)12-4-5-14(28-19(20)21)15(7-12)26-2/h3-9,19H,10H2,1-2H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 390.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 7680304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).