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

C21H22N6O2 — CID 70798534

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C21H22N6O2/c1-26-8-6-15(7-9-26)24-20(28)17-11-23-19-5-3-14(12-27(17)19)13-2-4-18-16(10-13)25-21(22)29-18/h2-5,10-12,15H,6-9H2,1H3,(H2,22,25)(H,24,28)
InChIKeyUTOXABSPJGSFCK-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.55
Rot. Bonds3

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

6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70798534) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70798534
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C21H22N6O2/c1-26-8-6-15(7-9-26)24-20(28)17-11-23-19-5-3-14(12-27(17)19)13-2-4-18-16(10-13)25-21(22)29-18/h2-5,10-12,15H,6-9H2,1H3,(H2,22,25)(H,24,28)
InChIKeyUTOXABSPJGSFCK-UHFFFAOYSA-N
XLogP2.55
TPSA101.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 70798534) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-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-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UTOXABSPJGSFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-26-8-6-15(7-9-26)24-20(28)17-11-23-19-5-3-14(12-27(17)19)13-2-4-18-16(10-13)25-21(22)29-18/h2-5,10-12,15H,6-9H2,1H3,(H2,22,25)(H,24,28).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70798534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).