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

C21H25N5O3S — CID 142563304

IUPACoxetan-3-yl 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCC(C)c1csc(-c2cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3[nH]2)n1
InChIInChI=1S/C21H25N5O3S/c1-13(2)17-12-30-20(24-17)16-9-15-18(3-4-22-19(15)23-16)25-5-7-26(8-6-25)21(27)29-14-10-28-11-14/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,22,23)
InChIKeyRQQJIXSGEBBXOA-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.47
Rot. Bonds4

About 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

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 (PubChem CID 142563304) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameoxetan-3-yl 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID142563304
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Nameoxetan-3-yl 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCC(C)c1csc(-c2cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3[nH]2)n1
InChIInChI=1S/C21H25N5O3S/c1-13(2)17-12-30-20(24-17)16-9-15-18(3-4-22-19(15)23-16)25-5-7-26(8-6-25)21(27)29-14-10-28-11-14/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,22,23)
InChIKeyRQQJIXSGEBBXOA-UHFFFAOYSA-N
XLogP3.47
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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-(4,5-dimethyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570213
oxetan-3-yl 4-[2-(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
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
oxolan-3-yl 4-[2-(1-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563309
methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
ethyl 4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate;oxolan-3-ol
CID 142563189
(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 166959263
ethyl 4-[2-[4-[(3R)-3-hydroxyoxolan-3-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 155221785
oxetan-3-yl 4-[6-(5-cyanothiophen-3-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158293893

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1csc(-c2cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3[nH]2)n1.
What is the InChIKey of 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?
The InChIKey is RQQJIXSGEBBXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-13(2)17-12-30-20(24-17)16-9-15-18(3-4-22-19(15)23-16)25-5-7-26(8-6-25)21(27)29-14-10-28-11-14/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,22,23).
What are the key properties of 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?
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 has a molecular weight of 427.53 g/mol, XLogP of 3.47, 4 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-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 142563304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).