N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine

C19H17F3N6 — CID 134327775

IUPACN-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1cccc(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1C(F)(F)F
InChIInChI=1S/C19H17F3N6/c1-23-7-11-4-3-5-13(17(11)19(20,21)22)15-6-14-16(9-24-15)26-27-18(14)12-8-25-28(2)10-12/h3-6,8-10,23H,7H2,1-2H3,(H,26,27)
InChIKeyWYUWDRZBIUIRJO-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.76
Rot. Bonds4

About N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine

N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 134327775) has the molecular formula C19H17F3N6 and a molecular weight of 386.38 g/mol. Its IUPAC name is N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine
PubChem CID134327775
Molecular FormulaC19H17F3N6
Molecular Weight386.38 g/mol
Exact Mass386.15
IUPAC NameN-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1cccc(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1C(F)(F)F
InChIInChI=1S/C19H17F3N6/c1-23-7-11-4-3-5-13(17(11)19(20,21)22)15-6-14-16(9-24-15)26-27-18(14)12-8-25-28(2)10-12/h3-6,8-10,23H,7H2,1-2H3,(H,26,27)
InChIKeyWYUWDRZBIUIRJO-UHFFFAOYSA-N
XLogP3.76
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine 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 N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine (CID 134327775) is N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine is CNCc1cccc(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1C(F)(F)F.
What is the InChIKey of N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WYUWDRZBIUIRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6/c1-23-7-11-4-3-5-13(17(11)19(20,21)22)15-6-14-16(9-24-15)26-27-18(14)12-8-25-28(2)10-12/h3-6,8-10,23H,7H2,1-2H3,(H,26,27).
What are the key properties of N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 386.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 134327775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).