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

C21H22N6O2 — CID 70798569

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)NCCN5CCCC5)n4c3)ccc2o1
InChIInChI=1S/C21H22N6O2/c22-21-25-16-11-14(3-5-18(16)29-21)15-4-6-19-24-12-17(27(19)13-15)20(28)23-7-10-26-8-1-2-9-26/h3-6,11-13H,1-2,7-10H2,(H2,22,25)(H,23,28)
InChIKeyGXTMGCNYYQINDM-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.55
Rot. Bonds5

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

6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70798569) 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-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70798569
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)NCCN5CCCC5)n4c3)ccc2o1
InChIInChI=1S/C21H22N6O2/c22-21-25-16-11-14(3-5-18(16)29-21)15-4-6-19-24-12-17(27(19)13-15)20(28)23-7-10-26-8-1-2-9-26/h3-6,11-13H,1-2,7-10H2,(H2,22,25)(H,23,28)
InChIKeyGXTMGCNYYQINDM-UHFFFAOYSA-N
XLogP2.55
TPSA101.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 70798569) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is Nc1nc2cc(-c3ccc4ncc(C(=O)NCCN5CCCC5)n4c3)ccc2o1.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GXTMGCNYYQINDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-21-25-16-11-14(3-5-18(16)29-21)15-4-6-19-24-12-17(27(19)13-15)20(28)23-7-10-26-8-1-2-9-26/h3-6,11-13H,1-2,7-10H2,(H2,22,25)(H,23,28).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.55, 5 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-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70798569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).