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

C23H25N7O2 — CID 70798654

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCN1CCN(C2CN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)C2)CC1
InChIInChI=1S/C23H25N7O2/c1-27-6-8-28(9-7-27)17-13-29(14-17)22(31)19-11-25-21-5-3-16(12-30(19)21)15-2-4-20-18(10-15)26-23(24)32-20/h2-5,10-12,17H,6-9,13-14H2,1H3,(H2,24,26)
InChIKeyLKFYTUQVWAVILJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.80
Rot. Bonds3

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 70798654) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID70798654
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCN1CCN(C2CN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)C2)CC1
InChIInChI=1S/C23H25N7O2/c1-27-6-8-28(9-7-27)17-13-29(14-17)22(31)19-11-25-21-5-3-16(12-30(19)21)15-2-4-20-18(10-15)26-23(24)32-20/h2-5,10-12,17H,6-9,13-14H2,1H3,(H2,24,26)
InChIKeyLKFYTUQVWAVILJ-UHFFFAOYSA-N
XLogP1.80
TPSA96.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
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]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (CID 70798654) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-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-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is CN1CCN(C2CN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)C2)CC1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is LKFYTUQVWAVILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-27-6-8-28(9-7-27)17-13-29(14-17)22(31)19-11-25-21-5-3-16(12-30(19)21)15-2-4-20-18(10-15)26-23(24)32-20/h2-5,10-12,17H,6-9,13-14H2,1H3,(H2,24,26).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 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]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 70798654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).