oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

C21H23ClN4O3S — CID 159255345

IUPACoxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCc1nc(C2=C(Cl)c3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3C2)sc1C
InChIInChI=1S/C21H23ClN4O3S/c1-12-13(2)30-20(24-12)15-9-16-18(19(15)22)17(3-4-23-16)25-5-7-26(8-6-25)21(27)29-14-10-28-11-14/h3-4,14H,5-11H2,1-2H3
InChIKeyKVVAHRUGOZSUNW-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.48
Rot. Bonds3

About oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 159255345) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID159255345
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC Nameoxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCc1nc(C2=C(Cl)c3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3C2)sc1C
InChIInChI=1S/C21H23ClN4O3S/c1-12-13(2)30-20(24-12)15-9-16-18(19(15)22)17(3-4-23-16)25-5-7-26(8-6-25)21(27)29-14-10-28-11-14/h3-4,14H,5-11H2,1-2H3
InChIKeyKVVAHRUGOZSUNW-UHFFFAOYSA-N
XLogP3.48
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

oxetan-3-yl 4-[5-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159002850
oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 160955719
ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate
CID 160981616
oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570213
oxetan-3-yl 4-[2-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138569999
oxetan-3-yl 4-[6-(5-cyanothiophen-3-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158293893
oxetan-3-yl 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563304
(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158825810
oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
CID 145385145
oxetan-3-yl 4-[2-[1-(oxan-4-yl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570259
2-methyl-4-(trifluoromethyl)-1,3-thiazole;oxetan-3-yl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563212
oxetan-3-yl 4-[2-(5-ethyl-1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 155221723

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (CID 159255345) is oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is Cc1nc(C2=C(Cl)c3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3C2)sc1C.
What is the InChIKey of oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is KVVAHRUGOZSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-12-13(2)30-20(24-12)15-9-16-18(19(15)22)17(3-4-23-16)25-5-7-26(8-6-25)21(27)29-14-10-28-11-14/h3-4,14H,5-11H2,1-2H3.
What are the key properties of oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 446.96 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 159255345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).