(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride

C20H20ClN5 — CID 171595326

IUPAC(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1cccc(C[C@H](N)c2ncccc2-n2ncc3ccccc32)n1.Cl
InChIInChI=1S/C20H19N5.ClH/c1-14-6-4-8-16(24-14)12-17(21)20-19(10-5-11-22-20)25-18-9-3-2-7-15(18)13-23-25;/h2-11,13,17H,12,21H2,1H3;1H/t17-;/m0./s1
InChIKeyFHOVOIDGPFBRKL-LMOVPXPDSA-N
MW365.87 g/mol
LogP3.79
Rot. Bonds4

About (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride

(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride (PubChem CID 171595326) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
PubChem CID171595326
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1cccc(C[C@H](N)c2ncccc2-n2ncc3ccccc32)n1.Cl
InChIInChI=1S/C20H19N5.ClH/c1-14-6-4-8-16(24-14)12-17(21)20-19(10-5-11-22-20)25-18-9-3-2-7-15(18)13-23-25;/h2-11,13,17H,12,21H2,1H3;1H/t17-;/m0./s1
InChIKeyFHOVOIDGPFBRKL-LMOVPXPDSA-N
XLogP3.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-3-fluoropyridine-2-carboxamide
CID 164915902
6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile
CID 174161209
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
CID 171595341
(1S)-1-[3-(5-fluoroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-isocyano-2-pyridinyl)ethanamine
CID 171595339
2-amino-3-(6-methyl-2-pyridinyl)propan-1-ol;hydrochloride
CID 170891881
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157
2-(2-indazol-1-ylphenyl)pyridine-3-carboxamide
CID 174764256
1-(3-ethyl-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 82729615
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)indazole
CID 154224405
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride (CID 171595326) is (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride is Cc1cccc(C[C@H](N)c2ncccc2-n2ncc3ccccc32)n1.Cl.
What is the InChIKey of (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
The InChIKey is FHOVOIDGPFBRKL-LMOVPXPDSA-N. The full InChI is InChI=1S/C20H19N5.ClH/c1-14-6-4-8-16(24-14)12-17(21)20-19(10-5-11-22-20)25-18-9-3-2-7-15(18)13-23-25;/h2-11,13,17H,12,21H2,1H3;1H/t17-;/m0./s1.
What are the key properties of (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 171595326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).