(2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride

C16H20Cl2F2N4O2 — CID 154901364

IUPAC(2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1.Cl.Cl
InChIInChI=1S/C16H18F2N4O2.2ClH/c1-8(23)14(19)16(24)22-5-4-12-13(7-22)21-15(20-12)10-3-2-9(17)6-11(10)18;;/h2-3,6,8,14,23H,4-5,7,19H2,1H3,(H,20,21);2*1H/t8-,14+;;/m1../s1
InChIKeyMGLDUUMCSJNJFX-RNOPUHKESA-N
MW409.26 g/mol
LogP1.79
Rot. Bonds3

About (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride

(2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride (PubChem CID 154901364) has the molecular formula C16H20Cl2F2N4O2 and a molecular weight of 409.26 g/mol. Its IUPAC name is (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride
PubChem CID154901364
Molecular FormulaC16H20Cl2F2N4O2
Molecular Weight409.26 g/mol
Exact Mass408.09
IUPAC Name(2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1.Cl.Cl
InChIInChI=1S/C16H18F2N4O2.2ClH/c1-8(23)14(19)16(24)22-5-4-12-13(7-22)21-15(20-12)10-3-2-9(17)6-11(10)18;;/h2-3,6,8,14,23H,4-5,7,19H2,1H3,(H,20,21);2*1H/t8-,14+;;/m1../s1
InChIKeyMGLDUUMCSJNJFX-RNOPUHKESA-N
XLogP1.79
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride with MolForge

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Related Compounds

(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxy-3-methylbutan-1-one
CID 97436187
(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 97437934
(2R)-2-cyclohexyl-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-hydroxyethanone
CID 72856608
2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 72855340
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 72869829
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylazepan-2-yl)methanone
CID 72924034
3-[2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72854991
4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
CID 72869686
5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 74235878
N-cyclohexyl-2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 74237829
2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 72882017
2-[4-[[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 74241012

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride?
The IUPAC name of (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride (CID 154901364) is (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride.
What is the SMILES notation for (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride?
The canonical SMILES for (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride is C[C@@H](O)[C@H](N)C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1.Cl.Cl.
What is the InChIKey of (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride?
The InChIKey is MGLDUUMCSJNJFX-RNOPUHKESA-N. The full InChI is InChI=1S/C16H18F2N4O2.2ClH/c1-8(23)14(19)16(24)22-5-4-12-13(7-22)21-15(20-12)10-3-2-9(17)6-11(10)18;;/h2-3,6,8,14,23H,4-5,7,19H2,1H3,(H,20,21);2*1H/t8-,14+;;/m1../s1.
What are the key properties of (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride?
(2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride has a molecular weight of 409.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-hydroxybutan-1-one;dihydrochloride is sourced from PubChem (CID 154901364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).