2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine

C15H15ClN4 — CID 103127460

IUPAC2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C15H15ClN4/c1-20-14-5-3-2-4-11(14)15(19-20)13(17)8-10-6-7-18-9-12(10)16/h2-7,9,13H,8,17H2,1H3
InChIKeyWYANNTJMRGUVIE-UHFFFAOYSA-N
MW286.77 g/mol
LogP2.86
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine (PubChem CID 103127460) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
PubChem CID103127460
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C15H15ClN4/c1-20-14-5-3-2-4-11(14)15(19-20)13(17)8-10-6-7-18-9-12(10)16/h2-7,9,13H,8,17H2,1H3
InChIKeyWYANNTJMRGUVIE-UHFFFAOYSA-N
XLogP2.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103128466
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127876
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105157346
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103127544

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine (CID 103127460) is 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine is Cn1nc(C(N)Cc2ccncc2Cl)c2ccccc21.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine?
The InChIKey is WYANNTJMRGUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-20-14-5-3-2-4-11(14)15(19-20)13(17)8-10-6-7-18-9-12(10)16/h2-7,9,13H,8,17H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine has a molecular weight of 286.77 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 103127460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).