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

C22H22N6O3 — CID 70798472

IUPACN-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C22H22N6O3/c1-13(29)25-16-6-8-27(9-7-16)21(30)18-11-24-20-5-3-15(12-28(18)20)14-2-4-19-17(10-14)26-22(23)31-19/h2-5,10-12,16H,6-9H2,1H3,(H2,23,26)(H,25,29)
InChIKeyGQPKEMFEGUERDH-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.47
Rot. Bonds3

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

N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide (PubChem CID 70798472) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide
PubChem CID70798472
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C22H22N6O3/c1-13(29)25-16-6-8-27(9-7-16)21(30)18-11-24-20-5-3-15(12-28(18)20)14-2-4-19-17(10-14)26-22(23)31-19/h2-5,10-12,16H,6-9H2,1H3,(H2,23,26)(H,25,29)
InChIKeyGQPKEMFEGUERDH-UHFFFAOYSA-N
XLogP2.47
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide (CID 70798472) is N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1.
What is the InChIKey of N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is GQPKEMFEGUERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-13(29)25-16-6-8-27(9-7-16)21(30)18-11-24-20-5-3-15(12-28(18)20)14-2-4-19-17(10-14)26-22(23)31-19/h2-5,10-12,16H,6-9H2,1H3,(H2,23,26)(H,25,29).
What are the key properties of N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide?
N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 418.46 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 70798472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).