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

C42H40N10O — CID 172917923

IUPAC1-[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
SMILESCCc1cccc(-n2ncc3ccc(-c4cccc(/C(C)=N/O)n4)cc32)n1.CCc1cccc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H19N5O.C21H21N5/c1-3-17-6-4-9-21(23-17)26-20-12-15(10-11-16(20)13-22-26)19-8-5-7-18(24-19)14(2)25-27;1-3-17-6-4-9-21(24-17)26-20-12-15(10-11-16(20)13-23-26)19-8-5-7-18(25-19)14(2)22/h4-13,27H,3H2,1-2H3;4-14H,3,22H2,1-2H3/b25-14+;
InChIKeyCJWRPZRSDJTEGW-WJKHLOCDSA-N
MW700.85 g/mol
LogP8.31
Rot. Bonds8

About 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

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 (PubChem CID 172917923) has the molecular formula C42H40N10O and a molecular weight of 700.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID172917923
Molecular FormulaC42H40N10O
Molecular Weight700.85 g/mol
Exact Mass700.34
IUPAC Name1-[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
SMILESCCc1cccc(-n2ncc3ccc(-c4cccc(/C(C)=N/O)n4)cc32)n1.CCc1cccc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H19N5O.C21H21N5/c1-3-17-6-4-9-21(23-17)26-20-12-15(10-11-16(20)13-22-26)19-8-5-7-18(24-19)14(2)25-27;1-3-17-6-4-9-21(24-17)26-20-12-15(10-11-16(20)13-23-26)19-8-5-7-18(25-19)14(2)22/h4-13,27H,3H2,1-2H3;4-14H,3,22H2,1-2H3/b25-14+;
InChIKeyCJWRPZRSDJTEGW-WJKHLOCDSA-N
XLogP8.31
TPSA145.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 58.31
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-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cccc(-n2ncc3ccc(-c4cccc(/C(C)=N/O)n4)cc32)n1.CCc1cccc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of 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?
The InChIKey is CJWRPZRSDJTEGW-WJKHLOCDSA-N. The full InChI is InChI=1S/C21H19N5O.C21H21N5/c1-3-17-6-4-9-21(23-17)26-20-12-15(10-11-16(20)13-22-26)19-8-5-7-18(24-19)14(2)25-27;1-3-17-6-4-9-21(24-17)26-20-12-15(10-11-16(20)13-23-26)19-8-5-7-18(25-19)14(2)22/h4-13,27H,3H2,1-2H3;4-14H,3,22H2,1-2H3/b25-14+;.
What are the key properties of 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?
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 has a molecular weight of 700.85 g/mol, XLogP of 8.31, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172917923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).