[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C21H22N6O2 — CID 169085110

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1
InChIInChI=1S/C21H22N6O2/c1-25(2)15-7-8-26(12-15)20(28)17-10-23-19-6-4-14(11-27(17)19)13-3-5-18-16(9-13)24-21(22)29-18/h3-6,9-11,15H,7-8,12H2,1-2H3,(H2,22,24)
InChIKeyXXAOTCIAWNRMDY-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.50
Rot. Bonds3

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 169085110) 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)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID169085110
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1
InChIInChI=1S/C21H22N6O2/c1-25(2)15-7-8-26(12-15)20(28)17-10-23-19-6-4-14(11-27(17)19)13-3-5-18-16(9-13)24-21(22)29-18/h3-6,9-11,15H,7-8,12H2,1-2H3,(H2,22,24)
InChIKeyXXAOTCIAWNRMDY-UHFFFAOYSA-N
XLogP2.50
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
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)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 169085110) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)C1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is XXAOTCIAWNRMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-25(2)15-7-8-26(12-15)20(28)17-10-23-19-6-4-14(11-27(17)19)13-3-5-18-16(9-13)24-21(22)29-18/h3-6,9-11,15H,7-8,12H2,1-2H3,(H2,22,24).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 390.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 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)imidazo[1,2-a]pyridin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 169085110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).