4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine

C16H17N7O3S — CID 122694161

IUPAC4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
SMILESCS(=O)(=O)c1nccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H17N7O3S/c1-27(24,25)16-14(15-19-21-22-20-15)12(4-5-17-16)11-2-3-13(18-10-11)23-6-8-26-9-7-23/h2-5,10H,6-9H2,1H3,(H,19,20,21,22)
InChIKeyUFJHPSLYYVXYOH-UHFFFAOYSA-N
MW387.43 g/mol
LogP0.56
Rot. Bonds4

About 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine

4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine (PubChem CID 122694161) has the molecular formula C16H17N7O3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
PubChem CID122694161
Molecular FormulaC16H17N7O3S
Molecular Weight387.43 g/mol
Exact Mass387.11
IUPAC Name4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
SMILESCS(=O)(=O)c1nccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H17N7O3S/c1-27(24,25)16-14(15-19-21-22-20-15)12(4-5-17-16)11-2-3-13(18-10-11)23-6-8-26-9-7-23/h2-5,10H,6-9H2,1H3,(H,19,20,21,22)
InChIKeyUFJHPSLYYVXYOH-UHFFFAOYSA-N
XLogP0.56
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(6-morpholin-4-yl-3-pyridinyl)-6-[5-[2-sulfamoyl-4-[3-(trifluoromethyl)-1H-indazol-5-yl]-3-pyridinyl]tetrazol-2-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 137228872
6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline
CID 122694184
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118256777
4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996415
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxamide
CID 117093186
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
1-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 126610136
ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
CID 158655887

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine (CID 122694161) is 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine is CS(=O)(=O)c1nccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine?
The InChIKey is UFJHPSLYYVXYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3S/c1-27(24,25)16-14(15-19-21-22-20-15)12(4-5-17-16)11-2-3-13(18-10-11)23-6-8-26-9-7-23/h2-5,10H,6-9H2,1H3,(H,19,20,21,22).
What are the key properties of 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine?
4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine has a molecular weight of 387.43 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 122694161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).