6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H18N4O3 — CID 164610761

IUPAC6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ocnc5c4)cn23)cc1
InChIInChI=1S/C23H18N4O3/c1-29-18-6-2-15(3-7-18)11-25-23(28)20-12-24-22-9-5-17(13-27(20)22)16-4-8-21-19(10-16)26-14-30-21/h2-10,12-14H,11H2,1H3,(H,25,28)
InChIKeyCWKBVEGQIGFXHG-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.08
Rot. Bonds5

About 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164610761) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID164610761
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ocnc5c4)cn23)cc1
InChIInChI=1S/C23H18N4O3/c1-29-18-6-2-15(3-7-18)11-25-23(28)20-12-24-22-9-5-17(13-27(20)22)16-4-8-21-19(10-16)26-14-30-21/h2-10,12-14H,11H2,1H3,(H,25,28)
InChIKeyCWKBVEGQIGFXHG-UHFFFAOYSA-N
XLogP4.08
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 164610761) is 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ocnc5c4)cn23)cc1.
What is the InChIKey of 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CWKBVEGQIGFXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-29-18-6-2-15(3-7-18)11-25-23(28)20-12-24-22-9-5-17(13-27(20)22)16-4-8-21-19(10-16)26-14-30-21/h2-10,12-14H,11H2,1H3,(H,25,28).
What are the key properties of 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164610761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).