6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one

C20H17F3N6O2 — CID 164548837

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCOc1c(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C20H17F3N6O2/c1-10-7-17(26-11(2)25-10)27-16-8-15-12(9-24-16)19(30)28-29(15)14-6-4-5-13(18(14)31-3)20(21,22)23/h4-9H,1-3H3,(H,28,30)(H,24,25,26,27)
InChIKeyOTPPVOCKZAUGGA-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.89
Rot. Bonds4

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

6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 164548837) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID164548837
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCOc1c(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C20H17F3N6O2/c1-10-7-17(26-11(2)25-10)27-16-8-15-12(9-24-16)19(30)28-29(15)14-6-4-5-13(18(14)31-3)20(21,22)23/h4-9H,1-3H3,(H,28,30)(H,24,25,26,27)
InChIKeyOTPPVOCKZAUGGA-UHFFFAOYSA-N
XLogP3.89
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one (CID 164548837) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one is COc1c(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)cccc1C(F)(F)F.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is OTPPVOCKZAUGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c1-10-7-17(26-11(2)25-10)27-16-8-15-12(9-24-16)19(30)28-29(15)14-6-4-5-13(18(14)31-3)20(21,22)23/h4-9H,1-3H3,(H,28,30)(H,24,25,26,27).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-[2-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 430.39 g/mol, XLogP of 3.89, 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-methoxy-3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 164548837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).