N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol

C49H61F3N8O6 — CID 165049016

IUPACN-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol
SMILESCC(C)(O)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CC1CC(C(C)(C)O)C1.Cc1cccc(C(=O)Nc2cc3cn[nH]c3cc2C(C)(C)O)n1
InChIInChI=1S/C24H27F3N4O3.C17H18N4O2.C8H16O/c1-22(2,33)14-9-15(10-14)31-12-13-8-19(16(23(3,4)34)11-18(13)30-31)29-21(32)17-6-5-7-20(28-17)24(25,26)27;1-10-5-4-6-13(19-10)16(22)20-15-7-11-9-18-21-14(11)8-12(15)17(2,3)23;1-6-4-7(5-6)8(2,3)9/h5-8,11-12,14-15,33-34H,9-10H2,1-4H3,(H,29,32);4-9,23H,1-3H3,(H,18,21)(H,20,22);6-7,9H,4-5H2,1-3H3
InChIKeyPJFLAEZTIMEMFA-UHFFFAOYSA-N
MW915.07 g/mol
LogP9.20
Rot. Bonds9

About N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol

N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol (PubChem CID 165049016) has the molecular formula C49H61F3N8O6 and a molecular weight of 915.07 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol
PubChem CID165049016
Molecular FormulaC49H61F3N8O6
Molecular Weight915.07 g/mol
Exact Mass914.47
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol
SMILESCC(C)(O)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CC1CC(C(C)(C)O)C1.Cc1cccc(C(=O)Nc2cc3cn[nH]c3cc2C(C)(C)O)n1
InChIInChI=1S/C24H27F3N4O3.C17H18N4O2.C8H16O/c1-22(2,33)14-9-15(10-14)31-12-13-8-19(16(23(3,4)34)11-18(13)30-31)29-21(32)17-6-5-7-20(28-17)24(25,26)27;1-10-5-4-6-13(19-10)16(22)20-15-7-11-9-18-21-14(11)8-12(15)17(2,3)23;1-6-4-7(5-6)8(2,3)9/h5-8,11-12,14-15,33-34H,9-10H2,1-4H3,(H,29,32);4-9,23H,1-3H3,(H,18,21)(H,20,22);6-7,9H,4-5H2,1-3H3
InChIKeyPJFLAEZTIMEMFA-UHFFFAOYSA-N
XLogP9.20
TPSA211.40 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500915.07
LogP ≤ 59.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol with MolForge

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Related Compounds

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N-[6-(2-hydroxypropan-2-yl)-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
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N-[2-[4-[[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567234
N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
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CID 155437467
N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
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N-[2-(1-ethylsulfonylazetidin-3-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
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CID 162664185

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol (CID 165049016) is N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol is CC(C)(O)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CC1CC(C(C)(C)O)C1.Cc1cccc(C(=O)Nc2cc3cn[nH]c3cc2C(C)(C)O)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol?
The InChIKey is PJFLAEZTIMEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3.C17H18N4O2.C8H16O/c1-22(2,33)14-9-15(10-14)31-12-13-8-19(16(23(3,4)34)11-18(13)30-31)29-21(32)17-6-5-7-20(28-17)24(25,26)27;1-10-5-4-6-13(19-10)16(22)20-15-7-11-9-18-21-14(11)8-12(15)17(2,3)23;1-6-4-7(5-6)8(2,3)9/h5-8,11-12,14-15,33-34H,9-10H2,1-4H3,(H,29,32);4-9,23H,1-3H3,(H,18,21)(H,20,22);6-7,9H,4-5H2,1-3H3.
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol?
N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol has a molecular weight of 915.07 g/mol, XLogP of 9.20, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-methylpyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol is sourced from PubChem (CID 165049016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).