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

C21H17N7O2 — CID 70798510

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC(n6cccn6)C5)n4c3)ccc2o1
InChIInChI=1S/C21H17N7O2/c22-21-25-16-8-13(2-4-18(16)30-21)14-3-5-19-23-9-17(27(19)10-14)20(29)26-11-15(12-26)28-7-1-6-24-28/h1-10,15H,11-12H2,(H2,22,25)
InChIKeyYEUPUSBJXXXYNA-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.62
Rot. Bonds3

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone (PubChem CID 70798510) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
PubChem CID70798510
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC(n6cccn6)C5)n4c3)ccc2o1
InChIInChI=1S/C21H17N7O2/c22-21-25-16-8-13(2-4-18(16)30-21)14-3-5-19-23-9-17(27(19)10-14)20(29)26-11-15(12-26)28-7-1-6-24-28/h1-10,15H,11-12H2,(H2,22,25)
InChIKeyYEUPUSBJXXXYNA-UHFFFAOYSA-N
XLogP2.62
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Sapanisertib
CID 45375953
Serabelisib
CID 70798655
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
3-(2-Azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 139207774
5-(1-Propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 127046077
3-(2-amino-1,3-benzoxazol-5-yl)-1-[(2S)-4-methylpentan-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 142608587
5-(6-Azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 139207772
mTOR/HDAC-IN-1
CID 163321997
7-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide
CID 164609507
N-[1-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161836
5-(3-methylphenyl)-N-[1-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 60162369
1-[4-[4-[7-Amino-2-(1-methylpyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760160

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-pyrazol-1-ylazetidin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone (CID 70798510) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-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-pyrazol-1-ylazetidin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CC(n6cccn6)C5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The InChIKey is YEUPUSBJXXXYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c22-21-25-16-8-13(2-4-18(16)30-21)14-3-5-19-23-9-17(27(19)10-14)20(29)26-11-15(12-26)28-7-1-6-24-28/h1-10,15H,11-12H2,(H2,22,25).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone has a molecular weight of 399.41 g/mol, XLogP of 2.62, 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-pyrazol-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 70798510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).