N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H21F3N6O2 — CID 118173134

IUPACN-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CC2(C1)CN(C(=O)Cn1cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n1)C2
InChIInChI=1S/C22H21F3N6O2/c1-29-10-21(11-29)12-30(13-21)19(32)9-31-8-14-7-15(5-6-16(14)28-31)26-20(33)17-3-2-4-18(27-17)22(23,24)25/h2-8H,9-13H2,1H3,(H,26,33)
InChIKeyHBNOUUNUOBLCBL-UHFFFAOYSA-N
MW458.44 g/mol
LogP2.48
Rot. Bonds4

About N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173134) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173134
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC NameN-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CC2(C1)CN(C(=O)Cn1cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n1)C2
InChIInChI=1S/C22H21F3N6O2/c1-29-10-21(11-29)12-30(13-21)19(32)9-31-8-14-7-15(5-6-16(14)28-31)26-20(33)17-3-2-4-18(27-17)22(23,24)25/h2-8H,9-13H2,1H3,(H,26,33)
InChIKeyHBNOUUNUOBLCBL-UHFFFAOYSA-N
XLogP2.48
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050
N-[2-(2-oxo-2-thiomorpholin-4-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172980
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173128
N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182657
formic acid;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159944234
N-[2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 150263020
N-[2-[2-[4-(but-3-enylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 144865193
N-[2-[2-[4-(but-3-enylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 144865192
N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422962
2-[2-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157418877
N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 123383131

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173134) is N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN1CC2(C1)CN(C(=O)Cn1cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n1)C2.
What is the InChIKey of N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HBNOUUNUOBLCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-29-10-21(11-29)12-30(13-21)19(32)9-31-8-14-7-15(5-6-16(14)28-31)26-20(33)17-3-2-4-18(27-17)22(23,24)25/h2-8H,9-13H2,1H3,(H,26,33).
What are the key properties of N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).