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

C21H18F2N8 — CID 175348089

IUPAC4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(Cc5cn(C)nc5N)cc4F)cc23)cn1
InChIInChI=1S/C21H18F2N8/c1-30-10-13(7-26-30)20-14-6-17(25-8-18(14)27-28-20)19-15(22)4-11(5-16(19)23)3-12-9-31(2)29-21(12)24/h4-10H,3H2,1-2H3,(H2,24,29)(H,27,28)
InChIKeyAWSLCOLRWJOWKI-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.21
Rot. Bonds4

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

4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine (PubChem CID 175348089) has the molecular formula C21H18F2N8 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine
PubChem CID175348089
Molecular FormulaC21H18F2N8
Molecular Weight420.43 g/mol
Exact Mass420.16
IUPAC Name4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(Cc5cn(C)nc5N)cc4F)cc23)cn1
InChIInChI=1S/C21H18F2N8/c1-30-10-13(7-26-30)20-14-6-17(25-8-18(14)27-28-20)19-15(22)4-11(5-16(19)23)3-12-9-31(2)29-21(12)24/h4-10H,3H2,1-2H3,(H2,24,29)(H,27,28)
InChIKeyAWSLCOLRWJOWKI-UHFFFAOYSA-N
XLogP3.21
TPSA103.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
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
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
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
1-[4-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]ethanol
CID 175820235
3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
CID 157132062
4-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]morpholine
CID 175820266
[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl] morpholine-4-carboxylate
CID 134327781
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
5-[2-fluoro-4-pyrrolidin-2-yl-6-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 134328000

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 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) is 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine is Cn1cc(-c2n[nH]c3cnc(-c4c(F)cc(Cc5cn(C)nc5N)cc4F)cc23)cn1.
What is the InChIKey of 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine?
The InChIKey is AWSLCOLRWJOWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N8/c1-30-10-13(7-26-30)20-14-6-17(25-8-18(14)27-28-20)19-15(22)4-11(5-16(19)23)3-12-9-31(2)29-21(12)24/h4-10H,3H2,1-2H3,(H2,24,29)(H,27,28).
What are the key properties of 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine?
4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine has a molecular weight of 420.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 175348089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).