1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

C22H19N5 — CID 118663763

IUPAC1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESC#Cc1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C)n1
InChIInChI=1S/C22H19N5/c1-4-16-11-17(20-9-6-8-19(26-20)15(3)23)12-21-18(16)13-24-27(21)22-10-5-7-14(2)25-22/h1,5-13,15H,23H2,2-3H3
InChIKeyUFLIKAMKUBXVTI-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.79
Rot. Bonds3

About 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118663763) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118663763
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESC#Cc1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C)n1
InChIInChI=1S/C22H19N5/c1-4-16-11-17(20-9-6-8-19(26-20)15(3)23)12-21-18(16)13-24-27(21)22-10-5-7-14(2)25-22/h1,5-13,15H,23H2,2-3H3
InChIKeyUFLIKAMKUBXVTI-UHFFFAOYSA-N
XLogP3.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine with MolForge

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Related Compounds

1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118663752
1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile
CID 130249582
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-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 154826539
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664176
1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 118663762
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 162024801
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 118663870
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
CID 118663896
1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118664273

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 118663763) is 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is C#Cc1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C)n1.
What is the InChIKey of 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is UFLIKAMKUBXVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-4-16-11-17(20-9-6-8-19(26-20)15(3)23)12-21-18(16)13-24-27(21)22-10-5-7-14(2)25-22/h1,5-13,15H,23H2,2-3H3.
What are the key properties of 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 353.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-ethynyl-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118663763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).