1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine

C36H34N12O — CID 172953412

IUPAC1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(-c2ccc3cnn(-c4cn(C)cn4)c3c2)n1.CC(N)c1cccc(-c2ccc3cnn(-c4cn(C)cn4)c3c2)n1
InChIInChI=1S/C18H16N6O.C18H18N6/c1-12(22-25)15-4-3-5-16(21-15)13-6-7-14-9-20-24(17(14)8-13)18-10-23(2)11-19-18;1-12(19)15-4-3-5-16(22-15)13-6-7-14-9-21-24(17(14)8-13)18-10-23(2)11-20-18/h3-11,25H,1-2H3;3-12H,19H2,1-2H3/b22-12-;
InChIKeyGJNRZBSYQYYPSP-UMSFUEGVSA-N
MW650.75 g/mol
LogP5.86
Rot. Bonds6

About 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine

1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine (PubChem CID 172953412) has the molecular formula C36H34N12O and a molecular weight of 650.75 g/mol. Its IUPAC name is 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
PubChem CID172953412
Molecular FormulaC36H34N12O
Molecular Weight650.75 g/mol
Exact Mass650.30
IUPAC Name1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(-c2ccc3cnn(-c4cn(C)cn4)c3c2)n1.CC(N)c1cccc(-c2ccc3cnn(-c4cn(C)cn4)c3c2)n1
InChIInChI=1S/C18H16N6O.C18H18N6/c1-12(22-25)15-4-3-5-16(21-15)13-6-7-14-9-20-24(17(14)8-13)18-10-23(2)11-19-18;1-12(19)15-4-3-5-16(22-15)13-6-7-14-9-21-24(17(14)8-13)18-10-23(2)11-20-18/h3-11,25H,1-2H3;3-12H,19H2,1-2H3/b22-12-;
InChIKeyGJNRZBSYQYYPSP-UMSFUEGVSA-N
XLogP5.86
TPSA155.67 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.75
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine with MolForge

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Related Compounds

1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(NE)-N-[1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 172917923
(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 136967774
(NZ)-N-[1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethylidene]hydroxylamine
CID 136967741
1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664654
1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 172964739
1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 118663762
(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 154826539
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664176
6-[6-(1-aminoethyl)-2-pyridinyl]-N,N-dimethyl-1-(6-methyl-2-pyridinyl)indazol-4-amine;(NZ)-N-[1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 172967436
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
CID 118664225
6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
CID 118663799
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine (CID 172953412) is 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine is C/C(=N/O)c1cccc(-c2ccc3cnn(-c4cn(C)cn4)c3c2)n1.CC(N)c1cccc(-c2ccc3cnn(-c4cn(C)cn4)c3c2)n1.
What is the InChIKey of 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is GJNRZBSYQYYPSP-UMSFUEGVSA-N. The full InChI is InChI=1S/C18H16N6O.C18H18N6/c1-12(22-25)15-4-3-5-16(21-15)13-6-7-14-9-20-24(17(14)8-13)18-10-23(2)11-19-18;1-12(19)15-4-3-5-16(22-15)13-6-7-14-9-21-24(17(14)8-13)18-10-23(2)11-20-18/h3-11,25H,1-2H3;3-12H,19H2,1-2H3/b22-12-;.
What are the key properties of 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 650.75 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[6-[1-(1-methylimidazol-4-yl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 172953412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).