tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate

C20H24N4O3 — CID 167603819

IUPACtert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate
SMILESCC(C)(C)OC(=O)CC1CC(Nc2c(-c3ncco3)cnc3[nH]ccc23)C1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)27-16(25)10-12-8-13(9-12)24-17-14-4-5-21-18(14)23-11-15(17)19-22-6-7-26-19/h4-7,11-13H,8-10H2,1-3H3,(H2,21,23,24)
InChIKeyQIAWFVRQGDKRKL-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.14
Rot. Bonds5

About tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate

tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate (PubChem CID 167603819) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate
PubChem CID167603819
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nametert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate
SMILESCC(C)(C)OC(=O)CC1CC(Nc2c(-c3ncco3)cnc3[nH]ccc23)C1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)27-16(25)10-12-8-13(9-12)24-17-14-4-5-21-18(14)23-11-15(17)19-22-6-7-26-19/h4-7,11-13H,8-10H2,1-3H3,(H2,21,23,24)
InChIKeyQIAWFVRQGDKRKL-UHFFFAOYSA-N
XLogP4.14
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 155254111
3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 155253940
3-[(3S,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 155257011
tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
CID 155599730
tert-butyl 2-[3-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate
CID 167568799
tert-butyl 2-[3-[[1-(4-methylphenyl)sulfonyl-5-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate
CID 167541478
2-[4-[[3-(sulfinatoamino)cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3,4-oxadiazole
CID 167168858
5-acetyl-2-[4-[[3-(sulfinoamino)cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole
CID 167168861
cyclopentane;5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155717668
tert-butyl 2-[3-[[1-(4-methylphenyl)sulfonyl-5-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate
CID 167614137
4-cyano-N-[3-[[5-(4-methylsulfonyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide
CID 155599706
3-[[3-[[5-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]methylsulfonyl]benzonitrile
CID 167650875

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate?
The IUPAC name of tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate (CID 167603819) is tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate.
What is the SMILES notation for tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate?
The canonical SMILES for tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate is CC(C)(C)OC(=O)CC1CC(Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.
What is the InChIKey of tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate?
The InChIKey is QIAWFVRQGDKRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,3)27-16(25)10-12-8-13(9-12)24-17-14-4-5-21-18(14)23-11-15(17)19-22-6-7-26-19/h4-7,11-13H,8-10H2,1-3H3,(H2,21,23,24).
What are the key properties of tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate?
tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate has a molecular weight of 368.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate is sourced from PubChem (CID 167603819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).