hydroxylamine;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;hydrochloride

C42H33ClF6N8O3 — CID 172953612

IUPAChydroxylamine;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;hydrochloride
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.Cl.NO
InChIInChI=1S/C21H15F3N4O.C21H14F3N3O.ClH.H3NO/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;1H;2H,1H2/b27-13-;;;
InChIKeyHJTYOLYSKFSNGW-CYZNGHPHSA-N
MW847.22 g/mol
LogP10.37
Rot. Bonds6

About hydroxylamine;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;hydrochloride

hydroxylamine;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;hydrochloride (PubChem CID 172953612) has the molecular formula C42H33ClF6N8O3 and a molecular weight of 847.22 g/mol. Its IUPAC name is hydroxylamine;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;hydrochloride.

Molecular Properties

Compound Namehydroxylamine;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;hydrochloride
PubChem CID172953612
Molecular FormulaC42H33ClF6N8O3
Molecular Weight847.22 g/mol
Exact Mass846.23
IUPAC Namehydroxylamine;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;hydrochloride
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.Cl.NO
InChIInChI=1S/C21H15F3N4O.C21H14F3N3O.ClH.H3NO/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;1H;2H,1H2/b27-13-;;;
InChIKeyHJTYOLYSKFSNGW-CYZNGHPHSA-N
XLogP10.37
TPSA157.33 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.22
LogP ≤ 510.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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 hydroxylamine;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;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 hydroxylamine;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;hydrochloride?
The IUPAC name of hydroxylamine;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;hydrochloride (CID 172953612) is hydroxylamine;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;hydrochloride.
What is the SMILES notation for hydroxylamine;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;hydrochloride?
The canonical SMILES for hydroxylamine;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;hydrochloride 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.Cl.NO.
What is the InChIKey of hydroxylamine;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;hydrochloride?
The InChIKey is HJTYOLYSKFSNGW-CYZNGHPHSA-N. The full InChI is InChI=1S/C21H15F3N4O.C21H14F3N3O.ClH.H3NO/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;1H;2H,1H2/b27-13-;;;.
What are the key properties of hydroxylamine;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;hydrochloride?
hydroxylamine;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;hydrochloride has a molecular weight of 847.22 g/mol, XLogP of 10.37, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;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;hydrochloride is sourced from PubChem (CID 172953612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).