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

C20H19N5O3 — CID 70798414

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C20H19N5O3/c1-12-11-27-7-6-24(12)19(26)16-9-22-18-5-3-14(10-25(16)18)13-2-4-17-15(8-13)23-20(21)28-17/h2-5,8-10,12H,6-7,11H2,1H3,(H2,21,23)/t12-/m0/s1
InChIKeySJUNYVWFUOTHIQ-LBPRGKRZSA-N
MW377.40 g/mol
LogP2.59
Rot. Bonds2

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone (PubChem CID 70798414) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone
PubChem CID70798414
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C20H19N5O3/c1-12-11-27-7-6-24(12)19(26)16-9-22-18-5-3-14(10-25(16)18)13-2-4-17-15(8-13)23-20(21)28-17/h2-5,8-10,12H,6-7,11H2,1H3,(H2,21,23)/t12-/m0/s1
InChIKeySJUNYVWFUOTHIQ-LBPRGKRZSA-N
XLogP2.59
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
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]-[(3S)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone (CID 70798414) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-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-methylmorpholin-4-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone is C[C@H]1COCCN1C(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone?
The InChIKey is SJUNYVWFUOTHIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-11-27-7-6-24(12)19(26)16-9-22-18-5-3-14(10-25(16)18)13-2-4-17-15(8-13)23-20(21)28-17/h2-5,8-10,12H,6-7,11H2,1H3,(H2,21,23)/t12-/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-methylmorpholin-4-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone has a molecular weight of 377.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 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]-[(3S)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 70798414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).