ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate

C17H23N5O3 — CID 95108456

IUPACethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CC[C@H](n2c(CC)nc3cccnc32)C1
InChIInChI=1S/C17H23N5O3/c1-3-14-20-13-6-5-8-18-16(13)22(14)12-7-9-21(11-12)17(24)19-10-15(23)25-4-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,19,24)/t12-/m0/s1
InChIKeyCAWUSLIRVPQNIQ-LBPRGKRZSA-N
MW345.40 g/mol
LogP1.51
Rot. Bonds5

About ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate

ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate (PubChem CID 95108456) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
PubChem CID95108456
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Nameethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CC[C@H](n2c(CC)nc3cccnc32)C1
InChIInChI=1S/C17H23N5O3/c1-3-14-20-13-6-5-8-18-16(13)22(14)12-7-9-21(11-12)17(24)19-10-15(23)25-4-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,19,24)/t12-/m0/s1
InChIKeyCAWUSLIRVPQNIQ-LBPRGKRZSA-N
XLogP1.51
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474
ethyl 4-[[(3R)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95108453
ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 46286590
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
2-phenoxy-1-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108195
(2,5-dimethylphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108153
2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 53186816
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440
3-methoxy-1-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate (CID 95108456) is ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CC[C@H](n2c(CC)nc3cccnc32)C1.
What is the InChIKey of ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate?
The InChIKey is CAWUSLIRVPQNIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-14-20-13-6-5-8-18-16(13)22(14)12-7-9-21(11-12)17(24)19-10-15(23)25-4-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,19,24)/t12-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate?
ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate has a molecular weight of 345.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 95108456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).