(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate

C23H19F2N3O7 — CID 91415877

IUPAC(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1cc(COC(=O)C2=Cc3c(n(C)c(=O)n(Cc4cc(F)c(O)c(F)c4)c3=O)OC2)ccn1
InChIInChI=1S/C23H19F2N3O7/c1-27-21-15(20(30)28(23(27)32)9-13-5-16(24)19(29)17(25)6-13)8-14(11-34-21)22(31)35-10-12-3-4-26-18(7-12)33-2/h3-8,29H,9-11H2,1-2H3
InChIKeyQXZHDEIIKBJELX-UHFFFAOYSA-N
MW487.42 g/mol
LogP1.50
Rot. Bonds6

About (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate

(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91415877) has the molecular formula C23H19F2N3O7 and a molecular weight of 487.42 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate
PubChem CID91415877
Molecular FormulaC23H19F2N3O7
Molecular Weight487.42 g/mol
Exact Mass487.12
IUPAC Name(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1cc(COC(=O)C2=Cc3c(n(C)c(=O)n(Cc4cc(F)c(O)c(F)c4)c3=O)OC2)ccn1
InChIInChI=1S/C23H19F2N3O7/c1-27-21-15(20(30)28(23(27)32)9-13-5-16(24)19(29)17(25)6-13)8-14(11-34-21)22(31)35-10-12-3-4-26-18(7-12)33-2/h3-8,29H,9-11H2,1-2H3
InChIKeyQXZHDEIIKBJELX-UHFFFAOYSA-N
XLogP1.50
TPSA121.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4,7-trioxo-8H-pyrimido[5,4-b][1,4]thiazine-6-carboxamide
CID 91204504
3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 90876283
3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 90998405
3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 10322434
(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 90804236
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide
CID 10479234
(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-1-methyl-2,4,7-trioxo-8H-pyrimido[5,4-b][1,4]thiazine-6-carboxylate
CID 91221288
3-[(3,4-difluorophenyl)methyl]-4-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2-oxoquinoline-6-carboxamide
CID 91228004
3-[(3,4-difluorophenyl)methyl]-N-[(2-ethoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide
CID 139996904
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
6-[(3-fluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide;hydrochloride
CID 139993857

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate (CID 91415877) is (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate is COc1cc(COC(=O)C2=Cc3c(n(C)c(=O)n(Cc4cc(F)c(O)c(F)c4)c3=O)OC2)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is QXZHDEIIKBJELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O7/c1-27-21-15(20(30)28(23(27)32)9-13-5-16(24)19(29)17(25)6-13)8-14(11-34-21)22(31)35-10-12-3-4-26-18(7-12)33-2/h3-8,29H,9-11H2,1-2H3.
What are the key properties of (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate?
(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 487.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91415877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).