(4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate

C19H19FN4O3 — CID 138709974

IUPAC(4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESCc1ccnc2nc(C3CN(C(=O)OCc4ccc(F)cc4)CCO3)[nH]c12
InChIInChI=1S/C19H19FN4O3/c1-12-6-7-21-18-16(12)22-17(23-18)15-10-24(8-9-26-15)19(25)27-11-13-2-4-14(20)5-3-13/h2-7,15H,8-11H2,1H3,(H,21,22,23)
InChIKeyRVFMPJIVVXHUTM-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.12
Rot. Bonds3

About (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate

(4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (PubChem CID 138709974) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
PubChem CID138709974
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name(4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESCc1ccnc2nc(C3CN(C(=O)OCc4ccc(F)cc4)CCO3)[nH]c12
InChIInChI=1S/C19H19FN4O3/c1-12-6-7-21-18-16(12)22-17(23-18)15-10-24(8-9-26-15)19(25)27-11-13-2-4-14(20)5-3-13/h2-7,15H,8-11H2,1H3,(H,21,22,23)
InChIKeyRVFMPJIVVXHUTM-UHFFFAOYSA-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 (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (CID 138709974) is (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is Cc1ccnc2nc(C3CN(C(=O)OCc4ccc(F)cc4)CCO3)[nH]c12.
What is the InChIKey of (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
The InChIKey is RVFMPJIVVXHUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-6-7-21-18-16(12)22-17(23-18)15-10-24(8-9-26-15)19(25)27-11-13-2-4-14(20)5-3-13/h2-7,15H,8-11H2,1H3,(H,21,22,23).
What are the key properties of (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?
(4-fluorophenyl)methyl 2-(7-methyl-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 (4-fluorophenyl)methyl 2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 138709974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).