[1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C19H23N5O3S — CID 62707588

IUPAC[1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCc1ccnc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)c1
InChIInChI=1S/C19H23N5O3S/c1-15-2-7-21-18(12-15)28(26,27)24-13-16(14-24)19(25)23-10-8-22(9-11-23)17-3-5-20-6-4-17/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyNIHGMBOIYFWDGF-UHFFFAOYSA-N
MW401.49 g/mol
LogP0.75
Rot. Bonds4

About [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 62707588) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID62707588
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name[1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCc1ccnc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)c1
InChIInChI=1S/C19H23N5O3S/c1-15-2-7-21-18(12-15)28(26,27)24-13-16(14-24)19(25)23-10-8-22(9-11-23)17-3-5-20-6-4-17/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyNIHGMBOIYFWDGF-UHFFFAOYSA-N
XLogP0.75
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
[1-[(6-Chloro-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705316
[1-[(6-Chloro-5-methyl-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705483
[1-(5-Isoquinolinylsulfonyl)-3-azetidinyl][4-(4-pyridinyl)-1-piperazinyl]-methanone
CID 62705488
[4-(2,6-Dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705661
(1-Isoquinolin-5-ylsulfonylazetidin-3-yl)-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 62705830
(1-Isoquinolin-5-ylsulfonylazetidin-3-yl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 62705831
N-(4-{[4-(4-pyridylmethyl)piperazino]sulfonyl}phenyl)acetamide
CID 1341058
1-Cyclopentyl-4-{[1-(pyridin-3-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 3240878
[4-(4-Iodophenyl)sulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 9871989
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 10693131
N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}-N-propionylpropanamide
CID 4191547

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 62707588) is [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is Cc1ccnc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)c1.
What is the InChIKey of [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is NIHGMBOIYFWDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-15-2-7-21-18(12-15)28(26,27)24-13-16(14-24)19(25)23-10-8-22(9-11-23)17-3-5-20-6-4-17/h2-7,12,16H,8-11,13-14H2,1H3.
What are the key properties of [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 401.49 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62707588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).