oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate

C20H23N5O4 — CID 138570213

IUPACoxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCc1nc(-c2cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3[nH]2)oc1C
InChIInChI=1S/C20H23N5O4/c1-12-13(2)28-19(22-12)16-9-15-17(3-4-21-18(15)23-16)24-5-7-25(8-6-24)20(26)29-14-10-27-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,23)
InChIKeyGWHGAKYOVWYSNB-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.49
Rot. Bonds3

About oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate

oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 138570213) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID138570213
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Nameoxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCc1nc(-c2cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3[nH]2)oc1C
InChIInChI=1S/C20H23N5O4/c1-12-13(2)28-19(22-12)16-9-15-17(3-4-21-18(15)23-16)24-5-7-25(8-6-24)20(26)29-14-10-27-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,23)
InChIKeyGWHGAKYOVWYSNB-UHFFFAOYSA-N
XLogP2.49
TPSA96.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

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-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563304
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
oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 160955719
oxetan-3-yl 4-[2-(5-ethyl-1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 155221723
oxetan-3-yl 4-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570497
oxetan-3-yl 4-[2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570484
oxolan-3-yl 4-[2-(1-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563309
ethyl 4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate;oxolan-3-ol
CID 142563189
ethyl 4-[2-[4-[(3R)-3-hydroxyoxolan-3-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 155221785
methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
4-[2-(1-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylic acid
CID 142563219

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of 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) is oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate is Cc1nc(-c2cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3[nH]2)oc1C.
What is the InChIKey of oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is GWHGAKYOVWYSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-12-13(2)28-19(22-12)16-9-15-17(3-4-21-18(15)23-16)24-5-7-25(8-6-24)20(26)29-14-10-27-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?
oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 397.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 138570213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).