N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C23H26F3N5O3 — CID 144865171

IUPACN-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(CC(=O)N(C)CC(C)C)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H26F3N5O3/c1-5-34-19-10-17-15(12-31(29-17)13-21(32)30(4)11-14(2)3)9-18(19)28-22(33)16-7-6-8-20(27-16)23(24,25)26/h6-10,12,14H,5,11,13H2,1-4H3,(H,28,33)
InChIKeyPZNPNRVMXBDKSX-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.22
Rot. Bonds8

About N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 144865171) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID144865171
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(CC(=O)N(C)CC(C)C)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H26F3N5O3/c1-5-34-19-10-17-15(12-31(29-17)13-21(32)30(4)11-14(2)3)9-18(19)28-22(33)16-7-6-8-20(27-16)23(24,25)26/h6-10,12,14H,5,11,13H2,1-4H3,(H,28,33)
InChIKeyPZNPNRVMXBDKSX-UHFFFAOYSA-N
XLogP4.22
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422864
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
CID 150212264
N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide
CID 144865168
2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
CID 151656862
N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422930

Frequently Asked Questions

What is the IUPAC name of N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 144865171) is N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc2nn(CC(=O)N(C)CC(C)C)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PZNPNRVMXBDKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-5-34-19-10-17-15(12-31(29-17)13-21(32)30(4)11-14(2)3)9-18(19)28-22(33)16-7-6-8-20(27-16)23(24,25)26/h6-10,12,14H,5,11,13H2,1-4H3,(H,28,33).
What are the key properties of N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 144865171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).