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

C44H46N12O — CID 172967436

IUPAC6-[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
SMILESC/C(=N/O)c1cccc(-c2cc(N(C)C)c3cnn(-c4cccc(C)n4)c3c2)n1.Cc1cccc(-n2ncc3c(N(C)C)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C22H22N6O.C22H24N6/c1-14-7-5-10-22(24-14)28-21-12-16(11-20(27(3)4)17(21)13-23-28)19-9-6-8-18(25-19)15(2)26-29;1-14-7-5-10-22(25-14)28-21-12-16(11-20(27(3)4)17(21)13-24-28)19-9-6-8-18(26-19)15(2)23/h5-13,29H,1-4H3;5-13,15H,23H2,1-4H3/b26-15-;
InChIKeyHGLMXLOTLXUSCY-JCYJKQRTSA-N
MW758.94 g/mol
LogP7.93
Rot. Bonds8

About 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

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 (PubChem CID 172967436) has the molecular formula C44H46N12O and a molecular weight of 758.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID172967436
Molecular FormulaC44H46N12O
Molecular Weight758.94 g/mol
Exact Mass758.39
IUPAC Name6-[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
SMILESC/C(=N/O)c1cccc(-c2cc(N(C)C)c3cnn(-c4cccc(C)n4)c3c2)n1.Cc1cccc(-n2ncc3c(N(C)C)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C22H22N6O.C22H24N6/c1-14-7-5-10-22(24-14)28-21-12-16(11-20(27(3)4)17(21)13-23-28)19-9-6-8-18(25-19)15(2)26-29;1-14-7-5-10-22(25-14)28-21-12-16(11-20(27(3)4)17(21)13-24-28)19-9-6-8-18(26-19)15(2)23/h5-13,29H,1-4H3;5-13,15H,23H2,1-4H3/b26-15-;
InChIKeyHGLMXLOTLXUSCY-JCYJKQRTSA-N
XLogP7.93
TPSA152.29 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.94
LogP ≤ 57.93
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 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 with MolForge

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Related Compounds

(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 136967737
1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118663752
1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118663763
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
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
hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride
CID 172927548
(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 136967774
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
1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118664273
[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid
CID 118664010
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[iodo(methyl)amino]indazol-1-yl]-2-pyridinyl]methanol
CID 145002472
1-[6-[4-cyclopropyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118664639

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=N/O)c1cccc(-c2cc(N(C)C)c3cnn(-c4cccc(C)n4)c3c2)n1.Cc1cccc(-n2ncc3c(N(C)C)cc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of 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?
The InChIKey is HGLMXLOTLXUSCY-JCYJKQRTSA-N. The full InChI is InChI=1S/C22H22N6O.C22H24N6/c1-14-7-5-10-22(24-14)28-21-12-16(11-20(27(3)4)17(21)13-23-28)19-9-6-8-18(25-19)15(2)26-29;1-14-7-5-10-22(25-14)28-21-12-16(11-20(27(3)4)17(21)13-24-28)19-9-6-8-18(26-19)15(2)23/h5-13,29H,1-4H3;5-13,15H,23H2,1-4H3/b26-15-;.
What are the key properties of 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?
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 has a molecular weight of 758.94 g/mol, XLogP of 7.93, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172967436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).