1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride

C21H21ClN4 — CID 174205179

IUPAC1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride
SMILESCl.Cn1nc(-c2ccccc2C(N)Cc2ccccn2)c2ccccc21
InChIInChI=1S/C21H20N4.ClH/c1-25-20-12-5-4-11-18(20)21(24-25)17-10-3-2-9-16(17)19(22)14-15-8-6-7-13-23-15;/h2-13,19H,14,22H2,1H3;1H
InChIKeyCMTZXNCINYSVOI-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.30
Rot. Bonds4

About 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride

1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride (PubChem CID 174205179) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride
PubChem CID174205179
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride
SMILESCl.Cn1nc(-c2ccccc2C(N)Cc2ccccn2)c2ccccc21
InChIInChI=1S/C21H20N4.ClH/c1-25-20-12-5-4-11-18(20)21(24-25)17-10-3-2-9-16(17)19(22)14-15-8-6-7-13-23-15;/h2-13,19H,14,22H2,1H3;1H
InChIKeyCMTZXNCINYSVOI-UHFFFAOYSA-N
XLogP4.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915862
(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915522
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174203870
(1S)-1-[2-(1,2-benzoxazol-3-yl)-4-bromophenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 164915731
(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine
CID 164915887
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
1-[2-(1,2-benzoxazol-3-yl)-3-bromophenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174201724
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 43121506
1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
CID 174202789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride?
The IUPAC name of 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride (CID 174205179) is 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride?
The canonical SMILES for 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride is Cl.Cn1nc(-c2ccccc2C(N)Cc2ccccn2)c2ccccc21.
What is the InChIKey of 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride?
The InChIKey is CMTZXNCINYSVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4.ClH/c1-25-20-12-5-4-11-18(20)21(24-25)17-10-3-2-9-16(17)19(22)14-15-8-6-7-13-23-15;/h2-13,19H,14,22H2,1H3;1H.
What are the key properties of 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride?
1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride is sourced from PubChem (CID 174205179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).