5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C21H20F2N6 — CID 134327772

IUPAC5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c1cc(F)c(-c1cc3c(-c4cnn(C)c4)n[nH]c3cn1)c2F
InChIInChI=1S/C21H20F2N6/c1-24-16-5-3-4-12-13(16)6-15(22)19(20(12)23)17-7-14-18(9-25-17)27-28-21(14)11-8-26-29(2)10-11/h6-10,16,24H,3-5H2,1-2H3,(H,27,28)
InChIKeySHJOKNGQVAFGFN-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.90
Rot. Bonds3

About 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 134327772) has the molecular formula C21H20F2N6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134327772
Molecular FormulaC21H20F2N6
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Name5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c1cc(F)c(-c1cc3c(-c4cnn(C)c4)n[nH]c3cn1)c2F
InChIInChI=1S/C21H20F2N6/c1-24-16-5-3-4-12-13(16)6-15(22)19(20(12)23)17-7-14-18(9-25-17)27-28-21(14)11-8-26-29(2)10-11/h6-10,16,24H,3-5H2,1-2H3,(H,27,28)
InChIKeySHJOKNGQVAFGFN-UHFFFAOYSA-N
XLogP3.90
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine 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 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134327772) is 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c1cc(F)c(-c1cc3c(-c4cnn(C)c4)n[nH]c3cn1)c2F.
What is the InChIKey of 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SHJOKNGQVAFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6/c1-24-16-5-3-4-12-13(16)6-15(22)19(20(12)23)17-7-14-18(9-25-17)27-28-21(14)11-8-26-29(2)10-11/h6-10,16,24H,3-5H2,1-2H3,(H,27,28).
What are the key properties of 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 394.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134327772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).