3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C20H22N6O3S — CID 133326212

IUPAC3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1
InChIInChI=1S/C20H22N6O3S/c27-30(28,14-16-6-13-29-24-16)26-11-9-25(10-12-26)20-17-2-1-3-18(17)22-19(23-20)15-4-7-21-8-5-15/h4-8,13H,1-3,9-12,14H2
InChIKeyAMTPSVOWXIONEN-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.67
Rot. Bonds5

About 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 133326212) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID133326212
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1
InChIInChI=1S/C20H22N6O3S/c27-30(28,14-16-6-13-29-24-16)26-11-9-25(10-12-26)20-17-2-1-3-18(17)22-19(23-20)15-4-7-21-8-5-15/h4-8,13H,1-3,9-12,14H2
InChIKeyAMTPSVOWXIONEN-UHFFFAOYSA-N
XLogP1.67
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 99836914
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988746
3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326136
4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide
CID 133307482
3-[(4-pyridin-4-ylazepan-1-yl)sulfonylmethyl]-1,2-oxazole
CID 154769766
3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole
CID 133326237
(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 95202699
2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2-oxazolidine
CID 75484714
2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119186920
4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 86966525
(9aS)-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 100897294

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 133326212) is 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1.
What is the InChIKey of 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is AMTPSVOWXIONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c27-30(28,14-16-6-13-29-24-16)26-11-9-25(10-12-26)20-17-2-1-3-18(17)22-19(23-20)15-4-7-21-8-5-15/h4-8,13H,1-3,9-12,14H2.
What are the key properties of 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 426.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 133326212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).