7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile

C17H15F2N5O3 — CID 86300709

IUPAC7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)c(C#N)c3N(C)C2=O)c1F
InChIInChI=1S/C17H15F2N5O3/c1-23-14-8(6-22-16(21)9(14)5-20)7-24(17(23)25)15-12(18)10(26-2)4-11(27-3)13(15)19/h4,6H,7H2,1-3H3,(H2,21,22)
InChIKeyJTQSRKPTVSUIQB-UHFFFAOYSA-N
MW375.34 g/mol
LogP2.41
Rot. Bonds3

About 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile

7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile (PubChem CID 86300709) has the molecular formula C17H15F2N5O3 and a molecular weight of 375.34 g/mol. Its IUPAC name is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile
PubChem CID86300709
Molecular FormulaC17H15F2N5O3
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)c(C#N)c3N(C)C2=O)c1F
InChIInChI=1S/C17H15F2N5O3/c1-23-14-8(6-22-16(21)9(14)5-20)7-24(17(23)25)15-12(18)10(26-2)4-11(27-3)13(15)19/h4,6H,7H2,1-3H3,(H2,21,22)
InChIKeyJTQSRKPTVSUIQB-UHFFFAOYSA-N
XLogP2.41
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile?
The IUPAC name of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile (CID 86300709) is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile.
What is the SMILES notation for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile?
The canonical SMILES for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile is COc1cc(OC)c(F)c(N2Cc3cnc(N)c(C#N)c3N(C)C2=O)c1F.
What is the InChIKey of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile?
The InChIKey is JTQSRKPTVSUIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O3/c1-23-14-8(6-22-16(21)9(14)5-20)7-24(17(23)25)15-12(18)10(26-2)4-11(27-3)13(15)19/h4,6H,7H2,1-3H3,(H2,21,22).
What are the key properties of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile?
7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile has a molecular weight of 375.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile is sourced from PubChem (CID 86300709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).