[4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

C23H21N3O2S — CID 177376539

IUPAC[4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)s1
InChIInChI=1S/C23H21N3O2S/c1-16-2-8-21(29-16)20-14-24-22-9-7-19(15-26(20)22)17-3-5-18(6-4-17)23(27)25-10-12-28-13-11-25/h2-9,14-15H,10-13H2,1H3
InChIKeyHJIRNKSTJOICTI-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.51
Rot. Bonds3

About [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 177376539) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID177376539
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name[4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)s1
InChIInChI=1S/C23H21N3O2S/c1-16-2-8-21(29-16)20-14-24-22-9-7-19(15-26(20)22)17-3-5-18(6-4-17)23(27)25-10-12-28-13-11-25/h2-9,14-15H,10-13H2,1H3
InChIKeyHJIRNKSTJOICTI-UHFFFAOYSA-N
XLogP4.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 177376539) is [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)s1.
What is the InChIKey of [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HJIRNKSTJOICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-2-8-21(29-16)20-14-24-22-9-7-19(15-26(20)22)17-3-5-18(6-4-17)23(27)25-10-12-28-13-11-25/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 403.51 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177376539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).