tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate

C16H22N4O3 — CID 97172907

IUPACtert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ncccc2[nH]1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)20-9-5-6-11(20)10-22-14-18-12-7-4-8-17-13(12)19-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18,19)/t11-/m0/s1
InChIKeyCWIQRIDLWCYTJP-NSHDSACASA-N
MW318.38 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 97172907) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate
PubChem CID97172907
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ncccc2[nH]1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)20-9-5-6-11(20)10-22-14-18-12-7-4-8-17-13(12)19-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18,19)/t11-/m0/s1
InChIKeyCWIQRIDLWCYTJP-NSHDSACASA-N
XLogP2.74
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(1H-benzimidazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631416
tert-butyl (2R)-2-[[1H-imidazo[4,5-b]pyridin-2-yl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167488
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate
CID 71630338
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237
tert-butyl (3S)-3-[3-(1H-imidazo[4,5-b]pyridin-2-yloxy)propyl]piperidine-1-carboxylate
CID 97172067
tert-butyl (2S)-2-[(6-nitro-1H-benzimidazol-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172855
tert-butyl (2R)-2-[(2-carbamoyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66961823
tert-butyl (2R)-2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 86329405
tert-butyl (2S)-2-[(3-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 97173574
tert-butyl 2-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 71631756
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
tert-butyl (2R)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177765

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate (CID 97172907) is tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ncccc2[nH]1.
What is the InChIKey of tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is CWIQRIDLWCYTJP-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)20-9-5-6-11(20)10-22-14-18-12-7-4-8-17-13(12)19-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18,19)/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 97172907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).