[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C21H22N6O3 — CID 70798473

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCN(CCO)CC5)n4c3)ccc2o1
InChIInChI=1S/C21H22N6O3/c22-21-24-16-11-14(1-3-18(16)30-21)15-2-4-19-23-12-17(27(19)13-15)20(29)26-7-5-25(6-8-26)9-10-28/h1-4,11-13,28H,5-10H2,(H2,22,24)
InChIKeyTWOXGNDJVMENIE-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.47
Rot. Bonds4

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 70798473) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID70798473
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCN(CCO)CC5)n4c3)ccc2o1
InChIInChI=1S/C21H22N6O3/c22-21-24-16-11-14(1-3-18(16)30-21)15-2-4-19-23-12-17(27(19)13-15)20(29)26-7-5-25(6-8-26)9-10-28/h1-4,11-13,28H,5-10H2,(H2,22,24)
InChIKeyTWOXGNDJVMENIE-UHFFFAOYSA-N
XLogP1.47
TPSA113.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 70798473) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCN(CCO)CC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is TWOXGNDJVMENIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c22-21-24-16-11-14(1-3-18(16)30-21)15-2-4-19-23-12-17(27(19)13-15)20(29)26-7-5-25(6-8-26)9-10-28/h1-4,11-13,28H,5-10H2,(H2,22,24).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 406.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70798473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).