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

C19H19FN4O3 — CID 138709983

IUPAC(3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESCc1ccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)cc1F
InChIInChI=1S/C19H19FN4O3/c1-12-4-5-13(9-14(12)20)11-27-19(25)24-7-8-26-16(10-24)18-22-15-3-2-6-21-17(15)23-18/h2-6,9,16H,7-8,10-11H2,1H3,(H,21,22,23)/t16-/m0/s1
InChIKeyZFWVZGZZIAKCEM-INIZCTEOSA-N
MW370.38 g/mol
LogP3.12
Rot. Bonds3

About (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate

(3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (PubChem CID 138709983) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
PubChem CID138709983
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name(3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESCc1ccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)cc1F
InChIInChI=1S/C19H19FN4O3/c1-12-4-5-13(9-14(12)20)11-27-19(25)24-7-8-26-16(10-24)18-22-15-3-2-6-21-17(15)23-18/h2-6,9,16H,7-8,10-11H2,1H3,(H,21,22,23)/t16-/m0/s1
InChIKeyZFWVZGZZIAKCEM-INIZCTEOSA-N
XLogP3.12
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The IUPAC name of (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (CID 138709983) is (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The canonical SMILES for (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The InChIKey is ZFWVZGZZIAKCEM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-4-5-13(9-14(12)20)11-27-19(25)24-7-8-26-16(10-24)18-22-15-3-2-6-21-17(15)23-18/h2-6,9,16H,7-8,10-11H2,1H3,(H,21,22,23)/t16-/m0/s1.
What are the key properties of (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
(3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate has a molecular weight of 370.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 138709983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).