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

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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).