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

C23H20F3N7O2 — CID 134422962

IUPACN-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNc1ccncc1
InChIInChI=1S/C23H20F3N7O2/c24-23(25,26)20-3-1-2-19(31-20)22(35)30-17-4-5-18-15(12-17)13-33(32-18)14-21(34)29-11-10-28-16-6-8-27-9-7-16/h1-9,12-13H,10-11,14H2,(H,27,28)(H,29,34)(H,30,35)
InChIKeyCMZYMHMUKYDLGR-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.33
Rot. Bonds8

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

N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134422962) has the molecular formula C23H20F3N7O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134422962
Molecular FormulaC23H20F3N7O2
Molecular Weight483.45 g/mol
Exact Mass483.16
IUPAC NameN-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNc1ccncc1
InChIInChI=1S/C23H20F3N7O2/c24-23(25,26)20-3-1-2-19(31-20)22(35)30-17-4-5-18-15(12-17)13-33(32-18)14-21(34)29-11-10-28-16-6-8-27-9-7-16/h1-9,12-13H,10-11,14H2,(H,27,28)(H,29,34)(H,30,35)
InChIKeyCMZYMHMUKYDLGR-UHFFFAOYSA-N
XLogP3.33
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]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

N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 123383131
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
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
N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182657

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 134422962) is N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)NCCNc1ccncc1.
What is the InChIKey of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CMZYMHMUKYDLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c24-23(25,26)20-3-1-2-19(31-20)22(35)30-17-4-5-18-15(12-17)13-33(32-18)14-21(34)29-11-10-28-16-6-8-27-9-7-16/h1-9,12-13H,10-11,14H2,(H,27,28)(H,29,34)(H,30,35).
What are the key properties of N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 3.33, 8 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-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134422962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).