1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide

C20H20N6O2 — CID 123291688

IUPAC1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C20H20N6O2/c21-19(27)16-2-1-7-25(16)11-14-9-23-18-6-4-13(10-26(14)18)12-3-5-17-15(8-12)24-20(22)28-17/h3-6,8-10,16H,1-2,7,11H2,(H2,21,27)(H2,22,24)
InChIKeyZBFRDSAMRYLQNR-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.17
Rot. Bonds4

About 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide

1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 123291688) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID123291688
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C20H20N6O2/c21-19(27)16-2-1-7-25(16)11-14-9-23-18-6-4-13(10-26(14)18)12-3-5-17-15(8-12)24-20(22)28-17/h3-6,8-10,16H,1-2,7,11H2,(H2,21,27)(H2,22,24)
InChIKeyZBFRDSAMRYLQNR-UHFFFAOYSA-N
XLogP2.17
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 123291688) is 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12.
What is the InChIKey of 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZBFRDSAMRYLQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c21-19(27)16-2-1-7-25(16)11-14-9-23-18-6-4-13(10-26(14)18)12-3-5-17-15(8-12)24-20(22)28-17/h3-6,8-10,16H,1-2,7,11H2,(H2,21,27)(H2,22,24).
What are the key properties of 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide?
1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123291688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).