N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine

C20H22FN7 — CID 176566310

IUPACN-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine
SMILESCc1nc(Nc2[nH]cc3cc(N4CCNCC4)cc(F)c23)cc2cn(C)nc12
InChIInChI=1S/C20H22FN7/c1-12-19-14(11-27(2)26-19)8-17(24-12)25-20-18-13(10-23-20)7-15(9-16(18)21)28-5-3-22-4-6-28/h7-11,22-23,25H,3-6H2,1-2H3
InChIKeyZVHXEPYYYLILBF-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.05
Rot. Bonds3

About N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine

N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine (PubChem CID 176566310) has the molecular formula C20H22FN7 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine.

Molecular Properties

Compound NameN-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine
PubChem CID176566310
Molecular FormulaC20H22FN7
Molecular Weight379.44 g/mol
Exact Mass379.19
IUPAC NameN-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine
SMILESCc1nc(Nc2[nH]cc3cc(N4CCNCC4)cc(F)c23)cc2cn(C)nc12
InChIInChI=1S/C20H22FN7/c1-12-19-14(11-27(2)26-19)8-17(24-12)25-20-18-13(10-23-20)7-15(9-16(18)21)28-5-3-22-4-6-28/h7-11,22-23,25H,3-6H2,1-2H3
InChIKeyZVHXEPYYYLILBF-UHFFFAOYSA-N
XLogP3.05
TPSA73.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine with MolForge

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Related Compounds

2-(7-fluoro-5-piperazin-1-ylindazol-2-yl)-4,6-dimethylpyrazolo[1,5-a]pyrazine
CID 168902311
3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
CID 156888276
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine
CID 176567350
N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566226
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine
CID 176566098
7-fluoro-2-methyl-5-[4-(methylamino)-6-piperazin-1-ylquinazolin-2-yl]indazol-6-ol
CID 177078744
N-[4-cyclopropyl-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567167
4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride
CID 172551798
N-[4-(difluoromethyl)-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566634
5-chloro-2,7-dimethylpyrazolo[3,4-c]pyridine
CID 162432890

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine?
The IUPAC name of N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine (CID 176566310) is N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine.
What is the SMILES notation for N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine?
The canonical SMILES for N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine is Cc1nc(Nc2[nH]cc3cc(N4CCNCC4)cc(F)c23)cc2cn(C)nc12.
What is the InChIKey of N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine?
The InChIKey is ZVHXEPYYYLILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7/c1-12-19-14(11-27(2)26-19)8-17(24-12)25-20-18-13(10-23-20)7-15(9-16(18)21)28-5-3-22-4-6-28/h7-11,22-23,25H,3-6H2,1-2H3.
What are the key properties of N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine?
N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine has a molecular weight of 379.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-5-piperazin-1-yl-2H-isoindol-1-yl)-2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine is sourced from PubChem (CID 176566310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).