3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol

C18H15F5N4O — CID 163234804

IUPAC3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
SMILESCN(c1cc2c(cn1)c(-c1cc(C(F)(F)F)c(F)c(O)c1F)nn2C)C1CC1
InChIInChI=1S/C18H15F5N4O/c1-26(8-3-4-8)13-6-12-10(7-24-13)16(25-27(12)2)9-5-11(18(21,22)23)15(20)17(28)14(9)19/h5-8,28H,3-4H2,1-2H3
InChIKeyMSIXPNYIBHSZAN-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.24
Rot. Bonds3

About 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol

3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol (PubChem CID 163234804) has the molecular formula C18H15F5N4O and a molecular weight of 398.34 g/mol. Its IUPAC name is 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
PubChem CID163234804
Molecular FormulaC18H15F5N4O
Molecular Weight398.34 g/mol
Exact Mass398.12
IUPAC Name3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
SMILESCN(c1cc2c(cn1)c(-c1cc(C(F)(F)F)c(F)c(O)c1F)nn2C)C1CC1
InChIInChI=1S/C18H15F5N4O/c1-26(8-3-4-8)13-6-12-10(7-24-13)16(25-27(12)2)9-5-11(18(21,22)23)15(20)17(28)14(9)19/h5-8,28H,3-4H2,1-2H3
InChIKeyMSIXPNYIBHSZAN-UHFFFAOYSA-N
XLogP4.24
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol 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 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol (CID 163234804) is 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol is CN(c1cc2c(cn1)c(-c1cc(C(F)(F)F)c(F)c(O)c1F)nn2C)C1CC1.
What is the InChIKey of 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The InChIKey is MSIXPNYIBHSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4O/c1-26(8-3-4-8)13-6-12-10(7-24-13)16(25-27(12)2)9-5-11(18(21,22)23)15(20)17(28)14(9)19/h5-8,28H,3-4H2,1-2H3.
What are the key properties of 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol has a molecular weight of 398.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[cyclopropyl(methyl)amino]-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2,6-difluoro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 163234804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).