11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one

C23H20F2N6O4 — CID 72945246

IUPAC11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
SMILESCOc1cc(CN2C(=O)N(c3c(F)c(OC)cc(OC)c3F)Cc3cnc4[nH]ncc4c32)ccn1
InChIInChI=1S/C23H20F2N6O4/c1-33-15-7-16(34-2)19(25)21(18(15)24)31-11-13-8-27-22-14(9-28-29-22)20(13)30(23(31)32)10-12-4-5-26-17(6-12)35-3/h4-9H,10-11H2,1-3H3,(H,27,28,29)
InChIKeyFOOVKZRSVGHTFQ-UHFFFAOYSA-N
MW482.45 g/mol
LogP3.80
Rot. Bonds6

About 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one

11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one (PubChem CID 72945246) has the molecular formula C23H20F2N6O4 and a molecular weight of 482.45 g/mol. Its IUPAC name is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one.

Molecular Properties

Compound Name11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
PubChem CID72945246
Molecular FormulaC23H20F2N6O4
Molecular Weight482.45 g/mol
Exact Mass482.15
IUPAC Name11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
SMILESCOc1cc(CN2C(=O)N(c3c(F)c(OC)cc(OC)c3F)Cc3cnc4[nH]ncc4c32)ccn1
InChIInChI=1S/C23H20F2N6O4/c1-33-15-7-16(34-2)19(25)21(18(15)24)31-11-13-8-27-22-14(9-28-29-22)20(13)30(23(31)32)10-12-4-5-26-17(6-12)35-3/h4-9H,10-11H2,1-3H3,(H,27,28,29)
InChIKeyFOOVKZRSVGHTFQ-UHFFFAOYSA-N
XLogP3.80
TPSA105.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
The IUPAC name of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one (CID 72945246) is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one.
What is the SMILES notation for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
The canonical SMILES for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one is COc1cc(CN2C(=O)N(c3c(F)c(OC)cc(OC)c3F)Cc3cnc4[nH]ncc4c32)ccn1.
What is the InChIKey of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
The InChIKey is FOOVKZRSVGHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O4/c1-33-15-7-16(34-2)19(25)21(18(15)24)31-11-13-8-27-22-14(9-28-29-22)20(13)30(23(31)32)10-12-4-5-26-17(6-12)35-3/h4-9H,10-11H2,1-3H3,(H,27,28,29).
What are the key properties of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one has a molecular weight of 482.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-[(2-methoxy-4-pyridinyl)methyl]-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one is sourced from PubChem (CID 72945246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).