N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide

C28H28N4O5 — CID 46943929

IUPACN-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCOc1ccc(-c2cnc3c(NC(C)=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1OC
InChIInChI=1S/C28H28N4O5/c1-18(33)30-23-14-22(19-4-6-20(7-5-19)28(34)31-10-12-37-13-11-31)17-32-24(16-29-27(23)32)21-8-9-25(35-2)26(15-21)36-3/h4-9,14-17H,10-13H2,1-3H3,(H,30,33)
InChIKeyCXQSCRQVJKNQLY-UHFFFAOYSA-N
MW500.56 g/mol
LogP4.12
Rot. Bonds6

About N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide

N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 46943929) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
PubChem CID46943929
Molecular FormulaC28H28N4O5
Molecular Weight500.56 g/mol
Exact Mass500.21
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCOc1ccc(-c2cnc3c(NC(C)=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1OC
InChIInChI=1S/C28H28N4O5/c1-18(33)30-23-14-22(19-4-6-20(7-5-19)28(34)31-10-12-37-13-11-31)17-32-24(16-29-27(23)32)21-8-9-25(35-2)26(15-21)36-3/h4-9,14-17H,10-13H2,1-3H3,(H,30,33)
InChIKeyCXQSCRQVJKNQLY-UHFFFAOYSA-N
XLogP4.12
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide (CID 46943929) is N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide is COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
The InChIKey is CXQSCRQVJKNQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c1-18(33)30-23-14-22(19-4-6-20(7-5-19)28(34)31-10-12-37-13-11-31)17-32-24(16-29-27(23)32)21-8-9-25(35-2)26(15-21)36-3/h4-9,14-17H,10-13H2,1-3H3,(H,30,33).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide?
N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 500.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 46943929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).