N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H22F3N7O2 — CID 123383131

IUPACN-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNCc1ccncc1
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)21-3-1-2-20(32-21)23(36)31-18-4-5-19-17(12-18)14-34(33-19)15-22(35)30-11-10-29-13-16-6-8-28-9-7-16/h1-9,12,14,29H,10-11,13,15H2,(H,30,35)(H,31,36)
InChIKeyMKNAGVLXEGAMTO-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.00
Rot. Bonds9

About N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 123383131) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID123383131
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC NameN-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNCc1ccncc1
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)21-3-1-2-20(32-21)23(36)31-18-4-5-19-17(12-18)14-34(33-19)15-22(35)30-11-10-29-13-16-6-8-28-9-7-16/h1-9,12,14,29H,10-11,13,15H2,(H,30,35)(H,31,36)
InChIKeyMKNAGVLXEGAMTO-UHFFFAOYSA-N
XLogP3.00
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422962
N-[2-(2-oxo-2-thiomorpholin-4-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172980
N-[2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 150263020
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]-6-chloroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422929
6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 123830920
N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050
formic acid;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159944234
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
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
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 134422945
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134422759
N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173128

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 123383131) is N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNCc1ccncc1.
What is the InChIKey of N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MKNAGVLXEGAMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c25-24(26,27)21-3-1-2-20(32-21)23(36)31-18-4-5-19-17(12-18)14-34(33-19)15-22(35)30-11-10-29-13-16-6-8-28-9-7-16/h1-9,12,14,29H,10-11,13,15H2,(H,30,35)(H,31,36).
What are the key properties of N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 123383131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).