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

C19H16FN5O2 — CID 70798504

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](F)C5)n4c3)ccc2o1
InChIInChI=1S/C19H16FN5O2/c20-13-5-6-24(10-13)18(26)15-8-22-17-4-2-12(9-25(15)17)11-1-3-16-14(7-11)23-19(21)27-16/h1-4,7-9,13H,5-6,10H2,(H2,21,23)/t13-/m0/s1
InChIKeyZASRYTNKDWNXQM-ZDUSSCGKSA-N
MW365.37 g/mol
LogP2.91
Rot. Bonds2

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 70798504) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID70798504
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](F)C5)n4c3)ccc2o1
InChIInChI=1S/C19H16FN5O2/c20-13-5-6-24(10-13)18(26)15-8-22-17-4-2-12(9-25(15)17)11-1-3-16-14(7-11)23-19(21)27-16/h1-4,7-9,13H,5-6,10H2,(H2,21,23)/t13-/m0/s1
InChIKeyZASRYTNKDWNXQM-ZDUSSCGKSA-N
XLogP2.91
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (CID 70798504) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](F)C5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is ZASRYTNKDWNXQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-13-5-6-24(10-13)18(26)15-8-22-17-4-2-12(9-25(15)17)11-1-3-16-14(7-11)23-19(21)27-16/h1-4,7-9,13H,5-6,10H2,(H2,21,23)/t13-/m0/s1.
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 365.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 70798504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).