4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide

C22H26N4O4 — CID 155727685

IUPAC4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide
SMILESCCNC(=O)c1c(OC)cc(-c2cnc3cc(C(C)(C)C(N)=O)ccn23)cc1OC
InChIInChI=1S/C22H26N4O4/c1-6-24-20(27)19-16(29-4)9-13(10-17(19)30-5)15-12-25-18-11-14(7-8-26(15)18)22(2,3)21(23)28/h7-12H,6H2,1-5H3,(H2,23,28)(H,24,27)
InChIKeySFTAAGQWHWTYEA-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.53
Rot. Bonds7

About 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide

4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide (PubChem CID 155727685) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide.

Molecular Properties

Compound Name4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide
PubChem CID155727685
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide
SMILESCCNC(=O)c1c(OC)cc(-c2cnc3cc(C(C)(C)C(N)=O)ccn23)cc1OC
InChIInChI=1S/C22H26N4O4/c1-6-24-20(27)19-16(29-4)9-13(10-17(19)30-5)15-12-25-18-11-14(7-8-26(15)18)22(2,3)21(23)28/h7-12H,6H2,1-5H3,(H2,23,28)(H,24,27)
InChIKeySFTAAGQWHWTYEA-UHFFFAOYSA-N
XLogP2.53
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide?
The IUPAC name of 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide (CID 155727685) is 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide.
What is the SMILES notation for 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide?
The canonical SMILES for 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide is CCNC(=O)c1c(OC)cc(-c2cnc3cc(C(C)(C)C(N)=O)ccn23)cc1OC.
What is the InChIKey of 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide?
The InChIKey is SFTAAGQWHWTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-6-24-20(27)19-16(29-4)9-13(10-17(19)30-5)15-12-25-18-11-14(7-8-26(15)18)22(2,3)21(23)28/h7-12H,6H2,1-5H3,(H2,23,28)(H,24,27).
What are the key properties of 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide?
4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide has a molecular weight of 410.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide is sourced from PubChem (CID 155727685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).