methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate

C19H19FN4O4 — CID 59742878

IUPACmethyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOCCCn1c(NC(=O)c2cccc(F)c2)nc2cc(C(=O)OC)cnc21
InChIInChI=1S/C19H19FN4O4/c1-27-8-4-7-24-16-15(10-13(11-21-16)18(26)28-2)22-19(24)23-17(25)12-5-3-6-14(20)9-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23,25)
InChIKeyUYVOCFOCOMGRLY-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.65
Rot. Bonds7

About methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate

methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 59742878) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID59742878
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Namemethyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOCCCn1c(NC(=O)c2cccc(F)c2)nc2cc(C(=O)OC)cnc21
InChIInChI=1S/C19H19FN4O4/c1-27-8-4-7-24-16-15(10-13(11-21-16)18(26)28-2)22-19(24)23-17(25)12-5-3-6-14(20)9-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23,25)
InChIKeyUYVOCFOCOMGRLY-UHFFFAOYSA-N
XLogP2.65
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate (CID 59742878) is methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate is COCCCn1c(NC(=O)c2cccc(F)c2)nc2cc(C(=O)OC)cnc21.
What is the InChIKey of methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is UYVOCFOCOMGRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-27-8-4-7-24-16-15(10-13(11-21-16)18(26)28-2)22-19(24)23-17(25)12-5-3-6-14(20)9-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23,25).
What are the key properties of methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate?
methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 386.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 59742878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).