(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine

C22H21N5O — CID 136967774

IUPAC(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(-c2ccc3cnn(-c4cccc(C(C)C)n4)c3c2)n1
InChIInChI=1S/C22H21N5O/c1-14(2)18-6-5-9-22(25-18)27-21-12-16(10-11-17(21)13-23-27)20-8-4-7-19(24-20)15(3)26-28/h4-14,28H,1-3H3/b26-15-
InChIKeyZIBCFFDUWRORQM-YSMPRRRNSA-N
MW371.44 g/mol
LogP4.80
Rot. Bonds4

About (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine

(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine (PubChem CID 136967774) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
PubChem CID136967774
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc(-c2ccc3cnn(-c4cccc(C(C)C)n4)c3c2)n1
InChIInChI=1S/C22H21N5O/c1-14(2)18-6-5-9-22(25-18)27-21-12-16(10-11-17(21)13-23-27)20-8-4-7-19(24-20)15(3)26-28/h4-14,28H,1-3H3/b26-15-
InChIKeyZIBCFFDUWRORQM-YSMPRRRNSA-N
XLogP4.80
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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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-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethylidene]hydroxylamine
CID 136967741
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-[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
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
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664176
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-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118663810
1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 140798334
6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
CID 118663799

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine (CID 136967774) is (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine is C/C(=N/O)c1cccc(-c2ccc3cnn(-c4cccc(C(C)C)n4)c3c2)n1.
What is the InChIKey of (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is ZIBCFFDUWRORQM-YSMPRRRNSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14(2)18-6-5-9-22(25-18)27-21-12-16(10-11-17(21)13-23-27)20-8-4-7-19(24-20)15(3)26-28/h4-14,28H,1-3H3/b26-15-.
What are the key properties of (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 371.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 136967774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).