3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one

C22H23F2N5O3 — CID 122474057

IUPAC3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3cn(C)nc3C)cc21
InChIInChI=1S/C22H23F2N5O3/c1-6-28-16-7-15(14-11-27(3)26-12(14)2)25-9-13(16)10-29(22(28)30)21-19(23)17(31-4)8-18(32-5)20(21)24/h7-9,11H,6,10H2,1-5H3
InChIKeyPZCXYKOZZLAULJ-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.05
Rot. Bonds5

About 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one

3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 122474057) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID122474057
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3cn(C)nc3C)cc21
InChIInChI=1S/C22H23F2N5O3/c1-6-28-16-7-15(14-11-27(3)26-12(14)2)25-9-13(16)10-29(22(28)30)21-19(23)17(31-4)8-18(32-5)20(21)24/h7-9,11H,6,10H2,1-5H3
InChIKeyPZCXYKOZZLAULJ-UHFFFAOYSA-N
XLogP4.05
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one (CID 122474057) is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one is CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3cn(C)nc3C)cc21.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is PZCXYKOZZLAULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-6-28-16-7-15(14-11-27(3)26-12(14)2)25-9-13(16)10-29(22(28)30)21-19(23)17(31-4)8-18(32-5)20(21)24/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 443.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 122474057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).