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

C18H17ClN4O3 — CID 138709984

IUPAC(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1Cl)N1CCO[C@H](c2nc3ncccc3[nH]2)C1
InChIInChI=1S/C18H17ClN4O3/c19-13-5-2-1-4-12(13)11-26-18(24)23-8-9-25-15(10-23)17-21-14-6-3-7-20-16(14)22-17/h1-7,15H,8-11H2,(H,20,21,22)/t15-/m0/s1
InChIKeyHQSSNYRLVDZJLP-HNNXBMFYSA-N
MW372.81 g/mol
LogP3.32
Rot. Bonds3

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

(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (PubChem CID 138709984) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
PubChem CID138709984
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1Cl)N1CCO[C@H](c2nc3ncccc3[nH]2)C1
InChIInChI=1S/C18H17ClN4O3/c19-13-5-2-1-4-12(13)11-26-18(24)23-8-9-25-15(10-23)17-21-14-6-3-7-20-16(14)22-17/h1-7,15H,8-11H2,(H,20,21,22)/t15-/m0/s1
InChIKeyHQSSNYRLVDZJLP-HNNXBMFYSA-N
XLogP3.32
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (CID 138709984) is (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is O=C(OCc1ccccc1Cl)N1CCO[C@H](c2nc3ncccc3[nH]2)C1.
What is the InChIKey of (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The InChIKey is HQSSNYRLVDZJLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-13-5-2-1-4-12(13)11-26-18(24)23-8-9-25-15(10-23)17-21-14-6-3-7-20-16(14)22-17/h1-7,15H,8-11H2,(H,20,21,22)/t15-/m0/s1.
What are the key properties of (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 138709984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).