1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide

C27H24FN7O2 — CID 156693561

IUPAC1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(n4ncc5cccc(C(N)=O)c54)C3)n2-c2ccccc2F)nc1
InChIInChI=1S/C27H24FN7O2/c1-2-37-19-10-11-22(30-15-19)27-33-32-26(34(27)23-9-4-3-8-21(23)28)17-12-18(13-17)35-24-16(14-31-35)6-5-7-20(24)25(29)36/h3-11,14-15,17-18H,2,12-13H2,1H3,(H2,29,36)
InChIKeyWCQAASSOFCWKKO-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.43
Rot. Bonds7

About 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide

1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide (PubChem CID 156693561) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide
PubChem CID156693561
Molecular FormulaC27H24FN7O2
Molecular Weight497.53 g/mol
Exact Mass497.20
IUPAC Name1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(n4ncc5cccc(C(N)=O)c54)C3)n2-c2ccccc2F)nc1
InChIInChI=1S/C27H24FN7O2/c1-2-37-19-10-11-22(30-15-19)27-33-32-26(34(27)23-9-4-3-8-21(23)28)17-12-18(13-17)35-24-16(14-31-35)6-5-7-20(24)25(29)36/h3-11,14-15,17-18H,2,12-13H2,1H3,(H2,29,36)
InChIKeyWCQAASSOFCWKKO-UHFFFAOYSA-N
XLogP4.43
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Amg-337
CID 44181686
N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146282356
N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146282429
6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 44179999
US11926614, Example 57
CID 146282416
3-(2-methoxyethoxy)-6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 44180247
N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoroquinoxaline-5-carboxamide
CID 146282369
N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
CID 146282508
N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,3-dimethylquinoxaline-5-carboxamide
CID 166636184
3-methoxy-6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 127030383
2-[[4-Amino-3-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-(2,6-dimethylphenyl)-5-fluoroquinazolin-4-one
CID 145985019
2-[1-[4-Amino-3-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(1-methylpyrazol-4-yl)quinazolin-4-one
CID 162674861

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide?
The IUPAC name of 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide (CID 156693561) is 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide.
What is the SMILES notation for 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide?
The canonical SMILES for 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide is CCOc1ccc(-c2nnc(C3CC(n4ncc5cccc(C(N)=O)c54)C3)n2-c2ccccc2F)nc1.
What is the InChIKey of 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide?
The InChIKey is WCQAASSOFCWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O2/c1-2-37-19-10-11-22(30-15-19)27-33-32-26(34(27)23-9-4-3-8-21(23)28)17-12-18(13-17)35-24-16(14-31-35)6-5-7-20(24)25(29)36/h3-11,14-15,17-18H,2,12-13H2,1H3,(H2,29,36).
What are the key properties of 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide?
1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide is sourced from PubChem (CID 156693561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).