6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide

C20H25N5O3 — CID 129283899

IUPAC6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(N)n1
InChIInChI=1S/C20H25N5O3/c1-4-28-17-11-15-13(12-25(24-15)9-8-20(2,3)27)10-16(17)23-19(26)14-6-5-7-18(21)22-14/h5-7,10-12,27H,4,8-9H2,1-3H3,(H2,21,22)(H,23,26)
InChIKeyLDEWYERFCLQLTD-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.83
Rot. Bonds7

About 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide

6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 129283899) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID129283899
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(N)n1
InChIInChI=1S/C20H25N5O3/c1-4-28-17-11-15-13(12-25(24-15)9-8-20(2,3)27)10-16(17)23-19(26)14-6-5-7-18(21)22-14/h5-7,10-12,27H,4,8-9H2,1-3H3,(H2,21,22)(H,23,26)
InChIKeyLDEWYERFCLQLTD-UHFFFAOYSA-N
XLogP2.83
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
N-[6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137199891
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 144865171
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
CID 151656862
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
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
benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate
CID 118182618
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 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide (CID 129283899) is 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide is CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is LDEWYERFCLQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-4-28-17-11-15-13(12-25(24-15)9-8-20(2,3)27)10-16(17)23-19(26)14-6-5-7-18(21)22-14/h5-7,10-12,27H,4,8-9H2,1-3H3,(H2,21,22)(H,23,26).
What are the key properties of 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide?
6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 129283899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).