6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

C19H17FN6O2 — CID 164548831

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCOc1cccc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)c1F
InChIInChI=1S/C19H17FN6O2/c1-10-7-17(23-11(2)22-10)24-16-8-14-12(9-21-16)19(27)25-26(14)13-5-4-6-15(28-3)18(13)20/h4-9H,1-3H3,(H,25,27)(H,21,22,23,24)
InChIKeyQTGQQZLCOQQDOA-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.01
Rot. Bonds4

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 164548831) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID164548831
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCOc1cccc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)c1F
InChIInChI=1S/C19H17FN6O2/c1-10-7-17(23-11(2)22-10)24-16-8-14-12(9-21-16)19(27)25-26(14)13-5-4-6-15(28-3)18(13)20/h4-9H,1-3H3,(H,25,27)(H,21,22,23,24)
InChIKeyQTGQQZLCOQQDOA-UHFFFAOYSA-N
XLogP3.01
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (CID 164548831) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is COc1cccc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)c1F.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is QTGQQZLCOQQDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-10-7-17(23-11(2)22-10)24-16-8-14-12(9-21-16)19(27)25-26(14)13-5-4-6-15(28-3)18(13)20/h4-9H,1-3H3,(H,25,27)(H,21,22,23,24).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 380.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluoro-3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 164548831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).