(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine

C20H17ClFN5O2S — CID 171595341

IUPAC(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
SMILESCS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ncccc2-n2ncc3cc(Cl)ccc32)n1
InChIInChI=1S/C20H17ClFN5O2S/c1-30(28,29)19-7-5-14(22)16(26-19)10-15(23)20-18(3-2-8-24-20)27-17-6-4-13(21)9-12(17)11-25-27/h2-9,11,15H,10,23H2,1H3/t15-/m0/s1
InChIKeyAFBMROGICNSYML-HNNXBMFYSA-N
MW445.91 g/mol
LogP3.25
Rot. Bonds5

About (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine

(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine (PubChem CID 171595341) has the molecular formula C20H17ClFN5O2S and a molecular weight of 445.91 g/mol. Its IUPAC name is (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
PubChem CID171595341
Molecular FormulaC20H17ClFN5O2S
Molecular Weight445.91 g/mol
Exact Mass445.08
IUPAC Name(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
SMILESCS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ncccc2-n2ncc3cc(Cl)ccc32)n1
InChIInChI=1S/C20H17ClFN5O2S/c1-30(28,29)19-7-5-14(22)16(26-19)10-15(23)20-18(3-2-8-24-20)27-17-6-4-13(21)9-12(17)11-25-27/h2-9,11,15H,10,23H2,1H3/t15-/m0/s1
InChIKeyAFBMROGICNSYML-HNNXBMFYSA-N
XLogP3.25
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[3-(5-fluoroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-isocyano-2-pyridinyl)ethanamine
CID 171595339
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
(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 171595326
(1S)-1-chloro-2-(3-fluoro-2-pyridinyl)-1-[3-[5-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
CID 174236125
(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
CID 171595344
(1S)-1-[2-(6-bromo-1,2-benzoxazol-3-yl)phenyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
CID 164915431
(1S)-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)-1-[2-[6-(trifluoromethyl)-1,2-benzoxazol-3-yl]phenyl]ethanamine
CID 164915696
2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 90096296
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034
ethyl (E)-3-(5-chloro-1-pyridin-2-ylsulfonylindol-2-yl)prop-2-enoate
CID 102227929
5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole
CID 163234142

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine (CID 171595341) is (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine is CS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ncccc2-n2ncc3cc(Cl)ccc32)n1.
What is the InChIKey of (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine?
The InChIKey is AFBMROGICNSYML-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2S/c1-30(28,29)19-7-5-14(22)16(26-19)10-15(23)20-18(3-2-8-24-20)27-17-6-4-13(21)9-12(17)11-25-27/h2-9,11,15H,10,23H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine?
(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine has a molecular weight of 445.91 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 171595341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).