[4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate

C19H18F2N4O3 — CID 138709964

IUPAC[4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESO=C(OCc1ccc(C(F)F)cc1)N1CCO[C@H](c2nc3ncccc3[nH]2)C1
InChIInChI=1S/C19H18F2N4O3/c20-16(21)13-5-3-12(4-6-13)11-28-19(26)25-8-9-27-15(10-25)18-23-14-2-1-7-22-17(14)24-18/h1-7,15-16H,8-11H2,(H,22,23,24)/t15-/m0/s1
InChIKeyZBHQSEDLEFGQIG-HNNXBMFYSA-N
MW388.37 g/mol
LogP3.61
Rot. Bonds4

About [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate

[4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (PubChem CID 138709964) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
PubChem CID138709964
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name[4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESO=C(OCc1ccc(C(F)F)cc1)N1CCO[C@H](c2nc3ncccc3[nH]2)C1
InChIInChI=1S/C19H18F2N4O3/c20-16(21)13-5-3-12(4-6-13)11-28-19(26)25-8-9-27-15(10-25)18-23-14-2-1-7-22-17(14)24-18/h1-7,15-16H,8-11H2,(H,22,23,24)/t15-/m0/s1
InChIKeyZBHQSEDLEFGQIG-HNNXBMFYSA-N
XLogP3.61
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The IUPAC name of [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (CID 138709964) is [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The canonical SMILES for [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is O=C(OCc1ccc(C(F)F)cc1)N1CCO[C@H](c2nc3ncccc3[nH]2)C1.
What is the InChIKey of [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The InChIKey is ZBHQSEDLEFGQIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c20-16(21)13-5-3-12(4-6-13)11-28-19(26)25-8-9-27-15(10-25)18-23-14-2-1-7-22-17(14)24-18/h1-7,15-16H,8-11H2,(H,22,23,24)/t15-/m0/s1.
What are the key properties of [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
[4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate has a molecular weight of 388.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 138709964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).