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

C23H25F2N5O3 — CID 122474003

IUPAC3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(C)nc4C)cc3N(C(C)C)C2=O)c1F
InChIInChI=1S/C23H25F2N5O3/c1-12(2)30-17-7-16(15-11-28(4)27-13(15)3)26-9-14(17)10-29(23(30)31)22-20(24)18(32-5)8-19(33-6)21(22)25/h7-9,11-12H,10H2,1-6H3
InChIKeySQYPRMZFZUIUJP-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.44
Rot. Bonds5

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

3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 122474003) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-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-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID122474003
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(C)nc4C)cc3N(C(C)C)C2=O)c1F
InChIInChI=1S/C23H25F2N5O3/c1-12(2)30-17-7-16(15-11-28(4)27-13(15)3)26-9-14(17)10-29(23(30)31)22-20(24)18(32-5)8-19(33-6)21(22)25/h7-9,11-12H,10H2,1-6H3
InChIKeySQYPRMZFZUIUJP-UHFFFAOYSA-N
XLogP4.44
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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-propan-2-yl-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-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one (CID 122474003) is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-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-propan-2-yl-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-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(C)nc4C)cc3N(C(C)C)C2=O)c1F.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is SQYPRMZFZUIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-12(2)30-17-7-16(15-11-28(4)27-13(15)3)26-9-14(17)10-29(23(30)31)22-20(24)18(32-5)8-19(33-6)21(22)25/h7-9,11-12H,10H2,1-6H3.
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one?
3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 457.48 g/mol, XLogP of 4.44, 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-propan-2-yl-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 122474003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).