ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

C19H27N5O3 — CID 72544272

IUPACethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC[C@H](n3c(=O)[nH]c4cccnc43)C2)CC1
InChIInChI=1S/C19H27N5O3/c1-2-27-19(26)23-10-5-14(6-11-23)12-22-9-7-15(13-22)24-17-16(21-18(24)25)4-3-8-20-17/h3-4,8,14-15H,2,5-7,9-13H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyHDGLHSRIEHZOOX-HNNXBMFYSA-N
MW373.46 g/mol
LogP1.84
Rot. Bonds4

About ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 72544272) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID72544272
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Nameethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC[C@H](n3c(=O)[nH]c4cccnc43)C2)CC1
InChIInChI=1S/C19H27N5O3/c1-2-27-19(26)23-10-5-14(6-11-23)12-22-9-7-15(13-22)24-17-16(21-18(24)25)4-3-8-20-17/h3-4,8,14-15H,2,5-7,9-13H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyHDGLHSRIEHZOOX-HNNXBMFYSA-N
XLogP1.84
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;ethyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 157147875
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 136560318
ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
CID 90125332
ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
CID 66927257
ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 155518790
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 71724516
ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
CID 139840840
3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 121199602

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (CID 72544272) is ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CC[C@H](n3c(=O)[nH]c4cccnc43)C2)CC1.
What is the InChIKey of ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is HDGLHSRIEHZOOX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-2-27-19(26)23-10-5-14(6-11-23)12-22-9-7-15(13-22)24-17-16(21-18(24)25)4-3-8-20-17/h3-4,8,14-15H,2,5-7,9-13H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 72544272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).