N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H21F3N6O2 — CID 162675892

IUPACN-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1nccc1Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1
InChIInChI=1S/C22H21F3N6O2/c1-21(2,33)15-10-17-13(11-31(29-17)12-14-7-8-26-30(14)3)9-18(15)28-20(32)16-5-4-6-19(27-16)22(23,24)25/h4-11,33H,12H2,1-3H3,(H,28,32)
InChIKeyFBOGHDRIOBYBKU-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.71
Rot. Bonds5

About N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 162675892) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID162675892
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1nccc1Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1
InChIInChI=1S/C22H21F3N6O2/c1-21(2,33)15-10-17-13(11-31(29-17)12-14-7-8-26-30(14)3)9-18(15)28-20(32)16-5-4-6-19(27-16)22(23,24)25/h4-11,33H,12H2,1-3H3,(H,28,32)
InChIKeyFBOGHDRIOBYBKU-UHFFFAOYSA-N
XLogP3.71
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zabedosertib
CID 121364961
Irak4-IN-20
CID 121364971
CID 146386401
CID 146386401
(+)-1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hydroxy-1-(pyridin-3-yl)propyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355766
1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hydroxy-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355889
1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hydroxy-1-(pyridin-4-yl)propyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355890
US10308634, Example 3
CID 121364974
1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hydroxy-1-(pyridin-2-yl)propyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665639
N-[6-(2-hydroxypropan-2-yl)-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146380057
N-[2-(azetidin-3-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146386400
N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 147394543
3-Acetyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methylindolizine-1-carboxamide
CID 154631615

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 162675892) is N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1nccc1Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FBOGHDRIOBYBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-21(2,33)15-10-17-13(11-31(29-17)12-14-7-8-26-30(14)3)9-18(15)28-20(32)16-5-4-6-19(27-16)22(23,24)25/h4-11,33H,12H2,1-3H3,(H,28,32).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-[(2-methylpyrazol-3-yl)methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 162675892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).