5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide

C23H28N4O4 — CID 177176521

IUPAC5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
SMILESCCC1COCCN1CCCOc1ccc(Oc2cc(C(N)=O)cc3cncn23)cc1
InChIInChI=1S/C23H28N4O4/c1-2-18-15-29-11-9-26(18)8-3-10-30-20-4-6-21(7-5-20)31-22-13-17(23(24)28)12-19-14-25-16-27(19)22/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,24,28)
InChIKeyUDVYHQKUMDFIAG-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.11
Rot. Bonds9

About 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide

5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 177176521) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
PubChem CID177176521
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
SMILESCCC1COCCN1CCCOc1ccc(Oc2cc(C(N)=O)cc3cncn23)cc1
InChIInChI=1S/C23H28N4O4/c1-2-18-15-29-11-9-26(18)8-3-10-30-20-4-6-21(7-5-20)31-22-13-17(23(24)28)12-19-14-25-16-27(19)22/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,24,28)
InChIKeyUDVYHQKUMDFIAG-UHFFFAOYSA-N
XLogP3.11
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.11
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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Related Compounds

2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide
CID 171785848
4-[3-(4-butoxyphenoxy)propyl]-3-chloromorpholine
CID 121005500
2-[4-[2-(3-ethylmorpholin-4-yl)ethoxy]phenyl]acetonitrile
CID 43613148
1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
CID 43793216
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
1-[3-(3-ethylmorpholin-4-yl)propyl]pyrazol-3-amine
CID 63310734
4-(9-bromononyl)-3-ethylmorpholine
CID 105343626
4-(3-chloropropyl)-3-ethylmorpholine
CID 61288570
6-(3-ethylmorpholin-4-yl)hexan-3-one
CID 106801201
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
CID 91839674
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile
CID 43613135

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide (CID 177176521) is 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide is CCC1COCCN1CCCOc1ccc(Oc2cc(C(N)=O)cc3cncn23)cc1.
What is the InChIKey of 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is UDVYHQKUMDFIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-2-18-15-29-11-9-26(18)8-3-10-30-20-4-6-21(7-5-20)31-22-13-17(23(24)28)12-19-14-25-16-27(19)22/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,24,28).
What are the key properties of 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide?
5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(3-ethylmorpholin-4-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 177176521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).