[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone

C20H21ClN4O3 — CID 157018822

IUPAC[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
SMILESCc1nc2c(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)ccnc2n1C
InChIInChI=1S/C20H21ClN4O3/c1-12-23-17-14(7-8-22-19(17)24(12)2)20(27)25-9-10-28-16(11-26)18(25)13-5-3-4-6-15(13)21/h3-8,16,18,26H,9-11H2,1-2H3/t16-,18-/m0/s1
InChIKeyHHHBHYPYMVPKIA-WMZOPIPTSA-N
MW400.87 g/mol
LogP2.50
Rot. Bonds3

About [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone

[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone (PubChem CID 157018822) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
PubChem CID157018822
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
SMILESCc1nc2c(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)ccnc2n1C
InChIInChI=1S/C20H21ClN4O3/c1-12-23-17-14(7-8-22-19(17)24(12)2)20(27)25-9-10-28-16(11-26)18(25)13-5-3-4-6-15(13)21/h3-8,16,18,26H,9-11H2,1-2H3/t16-,18-/m0/s1
InChIKeyHHHBHYPYMVPKIA-WMZOPIPTSA-N
XLogP2.50
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1,2-dimethylpyrrol-3-yl)methanone
CID 155915720
6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid
CID 155972217
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 157015040
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 155919651
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 155496867
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 155498562
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 155911109
[(2R,3S)-3-(2-chlorophenyl)-4-[(4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 155917841
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 134712444
[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2-methoxyphenyl)methanone
CID 134706013
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
The IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone (CID 157018822) is [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone.
What is the SMILES notation for [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
The canonical SMILES for [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone is Cc1nc2c(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)ccnc2n1C.
What is the InChIKey of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
The InChIKey is HHHBHYPYMVPKIA-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-12-23-17-14(7-8-22-19(17)24(12)2)20(27)25-9-10-28-16(11-26)18(25)13-5-3-4-6-15(13)21/h3-8,16,18,26H,9-11H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone?
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone has a molecular weight of 400.87 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone is sourced from PubChem (CID 157018822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).