1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

C20H13N5O — CID 140798334

IUPAC1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILES[C-]#[N+]c1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1
InChIInChI=1S/C20H13N5O/c1-13(26)16-5-3-6-17(23-16)14-9-10-15-12-22-25(18(15)11-14)20-8-4-7-19(21-2)24-20/h3-12H,1H3
InChIKeyJXUSGLZOWRBJLX-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.24
Rot. Bonds3

About 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 140798334) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID140798334
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILES[C-]#[N+]c1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1
InChIInChI=1S/C20H13N5O/c1-13(26)16-5-3-6-17(23-16)14-9-10-15-12-22-25(18(15)11-14)20-8-4-7-19(21-2)24-20/h3-12H,1H3
InChIKeyJXUSGLZOWRBJLX-UHFFFAOYSA-N
XLogP4.24
TPSA65.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118663810
(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-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118664273
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
6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
CID 118663799
[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid
CID 118664010
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
1-[6-[4-cyclopropyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118664639
2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 155123625
(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 154826539
1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 118663762

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (CID 140798334) is 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is [C-]#[N+]c1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1.
What is the InChIKey of 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is JXUSGLZOWRBJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c1-13(26)16-5-3-6-17(23-16)14-9-10-15-12-22-25(18(15)11-14)20-8-4-7-19(21-2)24-20/h3-12H,1H3.
What are the key properties of 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 339.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-isocyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 140798334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).