methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine

C43H33F6N7O3 — CID 172955656

IUPACmethanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.CO
InChIInChI=1S/C21H15F3N4O.C21H14F3N3O.CH4O/c1-13(27-29)14-4-2-5-15(10-14)16-8-9-17-12-25-28(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24;1-13(28)14-4-2-5-15(10-14)16-8-9-17-12-25-27(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24;1-2/h2-12,29H,1H3;2-12H,1H3;2H,1H3/b27-13-;;
InChIKeyZHJRASHLJDLQEU-HRIRWVDGSA-N
MW809.77 g/mol
LogP10.22
Rot. Bonds6

About methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine

methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine (PubChem CID 172955656) has the molecular formula C43H33F6N7O3 and a molecular weight of 809.77 g/mol. Its IUPAC name is methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Namemethanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine
PubChem CID172955656
Molecular FormulaC43H33F6N7O3
Molecular Weight809.77 g/mol
Exact Mass809.25
IUPAC Namemethanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.CO
InChIInChI=1S/C21H15F3N4O.C21H14F3N3O.CH4O/c1-13(27-29)14-4-2-5-15(10-14)16-8-9-17-12-25-28(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24;1-13(28)14-4-2-5-15(10-14)16-8-9-17-12-25-27(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24;1-2/h2-12,29H,1H3;2-12H,1H3;2H,1H3/b27-13-;;
InChIKeyZHJRASHLJDLQEU-HRIRWVDGSA-N
XLogP10.22
TPSA131.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.77
LogP ≤ 510.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine with MolForge

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Related Compounds

4-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]-3-[(4-quinolin-3-yl-2-pyridinyl)amino]benzamide
CID 168298873
US10246456, Example 207
CID 118664933
US10246456, Example 228
CID 118663635
US10246456, Example 212
CID 118663981
US10246456, Example 210
CID 118664535
1-[6-[1-(6-Methylpyridin-2-yl)-4-(trifluoromethyl)indazol-6-yl]pyridin-2-yl]ethanone
CID 118663684
1-[5-[1-[6-(Trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-3-yl]ethanone
CID 118663913
1-[3-[1-[6-(Trifluoromethyl)pyridin-2-yl]indazol-6-yl]phenyl]ethanone
CID 118663932
1-[4-[1-[6-(Trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethanone
CID 118664444
1-[6-[1-[6-(Trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridin-2-yl]ethanone
CID 118664466
3-[[2,6-Difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[4-[3,5-difluoro-4-[(4-oxoquinazolin-3-yl)methyl]phenyl]-2-methylindazol-2-ium-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 123385049
6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)pyridin-2-yl]indazole-4-carboxamide
CID 138506749

Frequently Asked Questions

What is the IUPAC name of methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine?
The IUPAC name of methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine (CID 172955656) is methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine is C/C(=N/O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.CO.
What is the InChIKey of methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine?
The InChIKey is ZHJRASHLJDLQEU-HRIRWVDGSA-N. The full InChI is InChI=1S/C21H15F3N4O.C21H14F3N3O.CH4O/c1-13(27-29)14-4-2-5-15(10-14)16-8-9-17-12-25-28(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24;1-13(28)14-4-2-5-15(10-14)16-8-9-17-12-25-27(18(17)11-16)20-7-3-6-19(26-20)21(22,23)24;1-2/h2-12,29H,1H3;2-12H,1H3;2H,1H3/b27-13-;;.
What are the key properties of methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine?
methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine has a molecular weight of 809.77 g/mol, XLogP of 10.22, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethanone;(NZ)-N-[1-[3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 172955656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).