6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C23H26N6O4S — CID 71037693

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)CCN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C23H26N6O4S/c1-34(31,32)11-10-28-8-6-17(7-9-28)26-22(30)19-13-25-21-5-3-16(14-29(19)21)15-2-4-20-18(12-15)27-23(24)33-20/h2-5,12-14,17H,6-11H2,1H3,(H2,24,27)(H,26,30)
InChIKeyMUMGOMHVRBADHZ-UHFFFAOYSA-N
MW482.57 g/mol
LogP1.96
Rot. Bonds6

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

6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71037693) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71037693
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)CCN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C23H26N6O4S/c1-34(31,32)11-10-28-8-6-17(7-9-28)26-22(30)19-13-25-21-5-3-16(14-29(19)21)15-2-4-20-18(12-15)27-23(24)33-20/h2-5,12-14,17H,6-11H2,1H3,(H2,24,27)(H,26,30)
InChIKeyMUMGOMHVRBADHZ-UHFFFAOYSA-N
XLogP1.96
TPSA135.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71037693) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CS(=O)(=O)CCN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MUMGOMHVRBADHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-34(31,32)11-10-28-8-6-17(7-9-28)26-22(30)19-13-25-21-5-3-16(14-29(19)21)15-2-4-20-18(12-15)27-23(24)33-20/h2-5,12-14,17H,6-11H2,1H3,(H2,24,27)(H,26,30).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71037693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).