N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine

C19H21F3N4O — CID 150031182

IUPACN-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)CNc1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12
InChIInChI=1S/C19H21F3N4O/c1-13(2)9-24-18-16-11-26(25-17(16)7-8-23-18)10-14-3-5-15(6-4-14)27-12-19(20,21)22/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)
InChIKeyDHHJXBHOPWRJGT-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.49
Rot. Bonds7

About N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine

N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 150031182) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID150031182
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)CNc1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12
InChIInChI=1S/C19H21F3N4O/c1-13(2)9-24-18-16-11-26(25-17(16)7-8-23-18)10-14-3-5-15(6-4-14)27-12-19(20,21)22/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)
InChIKeyDHHJXBHOPWRJGT-UHFFFAOYSA-N
XLogP4.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine (CID 150031182) is N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine is CC(C)CNc1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12.
What is the InChIKey of N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is DHHJXBHOPWRJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-13(2)9-24-18-16-11-26(25-17(16)7-8-23-18)10-14-3-5-15(6-4-14)27-12-19(20,21)22/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 378.40 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 150031182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).