[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone

C17H16ClN5O2 — CID 95208918

IUPAC[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)cnc21
InChIInChI=1S/C17H16ClN5O2/c1-22-16-14(20-21-22)8-12(9-19-16)17(24)23-6-7-25-15(10-23)11-2-4-13(18)5-3-11/h2-5,8-9,15H,6-7,10H2,1H3/t15-/m1/s1
InChIKeyQKQDGBKOBJQRHU-OAHLLOKOSA-N
MW357.80 g/mol
LogP2.23
Rot. Bonds2

About [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone

[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 95208918) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
PubChem CID95208918
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)cnc21
InChIInChI=1S/C17H16ClN5O2/c1-22-16-14(20-21-22)8-12(9-19-16)17(24)23-6-7-25-15(10-23)11-2-4-13(18)5-3-11/h2-5,8-9,15H,6-7,10H2,1H3/t15-/m1/s1
InChIKeyQKQDGBKOBJQRHU-OAHLLOKOSA-N
XLogP2.23
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone with MolForge

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Related Compounds

[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
6-[(2S)-4-(4-chlorobenzoyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847945
methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
CID 95217867
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 87011263

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone (CID 95208918) is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone is Cn1nnc2cc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)cnc21.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is QKQDGBKOBJQRHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-22-16-14(20-21-22)8-12(9-19-16)17(24)23-6-7-25-15(10-23)11-2-4-13(18)5-3-11/h2-5,8-9,15H,6-7,10H2,1H3/t15-/m1/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 357.80 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 95208918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).