N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

C17H19FN6 — CID 139399062

IUPACN-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCN1CCc2[nH]nc(Nc3ccc(-c4cnn(C)c4)cc3F)c2C1
InChIInChI=1S/C17H19FN6/c1-23-6-5-15-13(10-23)17(22-21-15)20-16-4-3-11(7-14(16)18)12-8-19-24(2)9-12/h3-4,7-9H,5-6,10H2,1-2H3,(H2,20,21,22)
InChIKeyQAGDWCJJCWFDSX-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.68
Rot. Bonds3

About N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (PubChem CID 139399062) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
PubChem CID139399062
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC NameN-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCN1CCc2[nH]nc(Nc3ccc(-c4cnn(C)c4)cc3F)c2C1
InChIInChI=1S/C17H19FN6/c1-23-6-5-15-13(10-23)17(22-21-15)20-16-4-3-11(7-14(16)18)12-8-19-24(2)9-12/h3-4,7-9H,5-6,10H2,1-2H3,(H2,20,21,22)
InChIKeyQAGDWCJJCWFDSX-UHFFFAOYSA-N
XLogP2.68
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazole 79
CID 23647348
1-[3-[[2-Fluoranyl-4-(1-Methylpyrazol-4-Yl)phenyl]amino]-1-[(3~{s})-Oxolan-3-Yl]-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-5-Yl]ethanone
CID 121372887
3-(4-Fluorophenyl)-5-(Pyridin-2-Yl)-4,5,6,7-Tetrahydro-2h-Pyrazolo[4,3-C]pyridine
CID 91819625
6-(3-fluoro-2-methyl-4-pyridinyl)-5-methyl-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166631634
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11653701
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 11653702
3-Amino-5-(4-fluorophenyl)-4-(4-pyridyl)pyrazole
CID 15513101
7-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine
CID 25026058
N-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 46913411
N-(4-tert-butyl-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347392
4-(4-Fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950885
N-cyclohexyl-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618916

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (CID 139399062) is N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is CN1CCc2[nH]nc(Nc3ccc(-c4cnn(C)c4)cc3F)c2C1.
What is the InChIKey of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is QAGDWCJJCWFDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-23-6-5-15-13(10-23)17(22-21-15)20-16-4-3-11(7-14(16)18)12-8-19-24(2)9-12/h3-4,7-9H,5-6,10H2,1-2H3,(H2,20,21,22).
What are the key properties of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 326.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 139399062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).