7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one

C19H18F2N6O3 — CID 86300994

IUPAC7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)c(-c4cn[nH]c4)c3N(C)C2=O)c1F
InChIInChI=1S/C19H18F2N6O3/c1-26-16-10(5-23-18(22)13(16)9-6-24-25-7-9)8-27(19(26)28)17-14(20)11(29-2)4-12(30-3)15(17)21/h4-7H,8H2,1-3H3,(H2,22,23)(H,24,25)
InChIKeyAHDQQWCKEPPDPT-UHFFFAOYSA-N
MW416.39 g/mol
LogP2.93
Rot. Bonds4

About 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one

7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 86300994) has the molecular formula C19H18F2N6O3 and a molecular weight of 416.39 g/mol. Its IUPAC name is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID86300994
Molecular FormulaC19H18F2N6O3
Molecular Weight416.39 g/mol
Exact Mass416.14
IUPAC Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)c(-c4cn[nH]c4)c3N(C)C2=O)c1F
InChIInChI=1S/C19H18F2N6O3/c1-26-16-10(5-23-18(22)13(16)9-6-24-25-7-9)8-27(19(26)28)17-14(20)11(29-2)4-12(30-3)15(17)21/h4-7H,8H2,1-3H3,(H2,22,23)(H,24,25)
InChIKeyAHDQQWCKEPPDPT-UHFFFAOYSA-N
XLogP2.93
TPSA109.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
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-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one (CID 86300994) is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one is COc1cc(OC)c(F)c(N2Cc3cnc(N)c(-c4cn[nH]c4)c3N(C)C2=O)c1F.
What is the InChIKey of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is AHDQQWCKEPPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O3/c1-26-16-10(5-23-18(22)13(16)9-6-24-25-7-9)8-27(19(26)28)17-14(20)11(29-2)4-12(30-3)15(17)21/h4-7H,8H2,1-3H3,(H2,22,23)(H,24,25).
What are the key properties of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one?
7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-methyl-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 416.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 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-8-(1H-pyrazol-4-yl)-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 86300994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).