morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone

C17H21N5O4S — CID 53179301

IUPACmorpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1)N1CCOCC1
InChIInChI=1S/C17H21N5O4S/c23-17(20-7-9-26-10-8-20)15-12-21(13-19-15)16-4-3-14(11-18-16)27(24,25)22-5-1-2-6-22/h3-4,11-13H,1-2,5-10H2
InChIKeyVRFZTMATRDFYLW-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.52
Rot. Bonds4

About morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone

morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone (PubChem CID 53179301) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone
PubChem CID53179301
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Namemorpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1)N1CCOCC1
InChIInChI=1S/C17H21N5O4S/c23-17(20-7-9-26-10-8-20)15-12-21(13-19-15)16-4-3-14(11-18-16)27(24,25)22-5-1-2-6-22/h3-4,11-13H,1-2,5-10H2
InChIKeyVRFZTMATRDFYLW-UHFFFAOYSA-N
XLogP0.52
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179277
N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179297
1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7561679
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104559
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide
CID 53179310
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone (CID 53179301) is morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone is O=C(c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone?
The InChIKey is VRFZTMATRDFYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c23-17(20-7-9-26-10-8-20)15-12-21(13-19-15)16-4-3-14(11-18-16)27(24,25)22-5-1-2-6-22/h3-4,11-13H,1-2,5-10H2.
What are the key properties of morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone?
morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone has a molecular weight of 391.45 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone is sourced from PubChem (CID 53179301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).