N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine

C23H23FN8 — CID 175348008

IUPACN-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine
SMILESCc1cc(CN(C)c2cn(C)cn2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C23H23FN8/c1-14-5-15(10-31(3)21-12-30(2)13-26-21)6-18(24)22(14)19-7-17-20(9-25-19)28-29-23(17)16-8-27-32(4)11-16/h5-9,11-13H,10H2,1-4H3,(H,28,29)
InChIKeyDVAGFPKBBKFEHX-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.84
Rot. Bonds5

About N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine

N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine (PubChem CID 175348008) has the molecular formula C23H23FN8 and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine
PubChem CID175348008
Molecular FormulaC23H23FN8
Molecular Weight430.49 g/mol
Exact Mass430.20
IUPAC NameN-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine
SMILESCc1cc(CN(C)c2cn(C)cn2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C23H23FN8/c1-14-5-15(10-31(3)21-12-30(2)13-26-21)6-18(24)22(14)19-7-17-20(9-25-19)28-29-23(17)16-8-27-32(4)11-16/h5-9,11-13H,10H2,1-4H3,(H,28,29)
InChIKeyDVAGFPKBBKFEHX-UHFFFAOYSA-N
XLogP3.84
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine with MolForge

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Related Compounds

N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N-methyl-1,3-oxazol-4-amine
CID 175348011
4-[3-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]propyl]-1,3-oxazole
CID 159429824
5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 147473475
4-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]morpholine
CID 175820266
4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine
CID 175348089
3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylpropan-1-amine
CID 149353664
N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine
CID 134328263
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 134327875
[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl] morpholine-4-carboxylate
CID 134327781
3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine
CID 167319699
3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
CID 157132062

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine?
The IUPAC name of N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine (CID 175348008) is N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine.
What is the SMILES notation for N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine?
The canonical SMILES for N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine is Cc1cc(CN(C)c2cn(C)cn2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine?
The InChIKey is DVAGFPKBBKFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8/c1-14-5-15(10-31(3)21-12-30(2)13-26-21)6-18(24)22(14)19-7-17-20(9-25-19)28-29-23(17)16-8-27-32(4)11-16/h5-9,11-13H,10H2,1-4H3,(H,28,29).
What are the key properties of N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine?
N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine has a molecular weight of 430.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine is sourced from PubChem (CID 175348008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).