N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C23H27F3N6O3 — CID 134422864

IUPACN-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OCC(C)C)cc2n1
InChIInChI=1S/C23H27F3N6O3/c1-14(2)13-35-19-10-17-15(11-32(31-17)12-21(33)28-8-7-27-3)9-18(19)30-22(34)16-5-4-6-20(29-16)23(24,25)26/h4-6,9-11,14,27H,7-8,12-13H2,1-3H3,(H,28,33)(H,30,34)
InChIKeyBEYAHHGWDQWISW-UHFFFAOYSA-N
MW492.50 g/mol
LogP3.07
Rot. Bonds10

About N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134422864) has the molecular formula C23H27F3N6O3 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134422864
Molecular FormulaC23H27F3N6O3
Molecular Weight492.50 g/mol
Exact Mass492.21
IUPAC NameN-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OCC(C)C)cc2n1
InChIInChI=1S/C23H27F3N6O3/c1-14(2)13-35-19-10-17-15(11-32(31-17)12-21(33)28-8-7-27-3)9-18(19)30-22(34)16-5-4-6-20(29-16)23(24,25)26/h4-6,9-11,14,27H,7-8,12-13H2,1-3H3,(H,28,33)(H,30,34)
InChIKeyBEYAHHGWDQWISW-UHFFFAOYSA-N
XLogP3.07
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 134422864) is N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OCC(C)C)cc2n1.
What is the InChIKey of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BEYAHHGWDQWISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O3/c1-14(2)13-35-19-10-17-15(11-32(31-17)12-21(33)28-8-7-27-3)9-18(19)30-22(34)16-5-4-6-20(29-16)23(24,25)26/h4-6,9-11,14,27H,7-8,12-13H2,1-3H3,(H,28,33)(H,30,34).
What are the key properties of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134422864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).