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

C42H40N10O — CID 172964739

IUPAC1-[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
SMILESC/C(=N/O)c1cc(C)cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.Cc1cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)nc(C(C)N)c1
InChIInChI=1S/C21H19N5O.C21H21N5/c1-13-9-18(15(3)25-27)24-19(10-13)16-7-8-17-12-22-26(20(17)11-16)21-6-4-5-14(2)23-21;1-13-9-18(15(3)22)25-19(10-13)16-7-8-17-12-23-26(20(17)11-16)21-6-4-5-14(2)24-21/h4-12,27H,1-3H3;4-12,15H,22H2,1-3H3/b25-15-;
InChIKeyHRMFOQRTJFFUNL-WMJMVBMNSA-N
MW700.85 g/mol
LogP8.42
Rot. Bonds6

About 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

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 (PubChem CID 172964739) has the molecular formula C42H40N10O and a molecular weight of 700.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID172964739
Molecular FormulaC42H40N10O
Molecular Weight700.85 g/mol
Exact Mass700.34
IUPAC Name1-[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
SMILESC/C(=N/O)c1cc(C)cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.Cc1cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)nc(C(C)N)c1
InChIInChI=1S/C21H19N5O.C21H21N5/c1-13-9-18(15(3)25-27)24-19(10-13)16-7-8-17-12-22-26(20(17)11-16)21-6-4-5-14(2)23-21;1-13-9-18(15(3)22)25-19(10-13)16-7-8-17-12-23-26(20(17)11-16)21-6-4-5-14(2)24-21/h4-12,27H,1-3H3;4-12,15H,22H2,1-3H3/b25-15-;
InChIKeyHRMFOQRTJFFUNL-WMJMVBMNSA-N
XLogP8.42
TPSA145.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 58.42
H-Bond Donors ≤ 52
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 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 with MolForge

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Related Compounds

hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride
CID 172955795
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 118663870
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
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
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
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
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-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
CID 118663896
(NZ)-N-[1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethylidene]hydroxylamine
CID 136967741

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=N/O)c1cc(C)cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.Cc1cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)nc(C(C)N)c1.
What is the InChIKey of 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?
The InChIKey is HRMFOQRTJFFUNL-WMJMVBMNSA-N. The full InChI is InChI=1S/C21H19N5O.C21H21N5/c1-13-9-18(15(3)25-27)24-19(10-13)16-7-8-17-12-22-26(20(17)11-16)21-6-4-5-14(2)23-21;1-13-9-18(15(3)22)25-19(10-13)16-7-8-17-12-23-26(20(17)11-16)21-6-4-5-14(2)24-21/h4-12,27H,1-3H3;4-12,15H,22H2,1-3H3/b25-15-;.
What are the key properties of 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?
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 has a molecular weight of 700.85 g/mol, XLogP of 8.42, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172964739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).