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

C20H20N6O2 — CID 70798562

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CCN1
InChIInChI=1S/C20H20N6O2/c1-12-10-25(7-6-22-12)19(27)16-9-23-18-5-3-14(11-26(16)18)13-2-4-17-15(8-13)24-20(21)28-17/h2-5,8-9,11-12,22H,6-7,10H2,1H3,(H2,21,24)
InChIKeyNFWCBQRMYULCGM-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.16
Rot. Bonds2

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 70798562) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone
PubChem CID70798562
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CCN1
InChIInChI=1S/C20H20N6O2/c1-12-10-25(7-6-22-12)19(27)16-9-23-18-5-3-14(11-26(16)18)13-2-4-17-15(8-13)24-20(21)28-17/h2-5,8-9,11-12,22H,6-7,10H2,1H3,(H2,21,24)
InChIKeyNFWCBQRMYULCGM-UHFFFAOYSA-N
XLogP2.16
TPSA101.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.16
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)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone (CID 70798562) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-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-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CCN1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone?
The InChIKey is NFWCBQRMYULCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-10-25(7-6-22-12)19(27)16-9-23-18-5-3-14(11-26(16)18)13-2-4-17-15(8-13)24-20(21)28-17/h2-5,8-9,11-12,22H,6-7,10H2,1H3,(H2,21,24).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 376.42 g/mol, XLogP of 2.16, 2 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)imidazo[1,2-a]pyridin-3-yl]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 70798562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).