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

C24H26N6O3 — CID 70798561

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCOCC6)CC5)n4c3)ccc2o1
InChIInChI=1S/C24H26N6O3/c25-24-27-19-13-16(1-3-21(19)33-24)17-2-4-22-26-14-20(30(22)15-17)23(31)29-7-5-18(6-8-29)28-9-11-32-12-10-28/h1-4,13-15,18H,5-12H2,(H2,25,27)
InChIKeyYTEYICGUVUADEW-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.66
Rot. Bonds3

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 70798561) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID70798561
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCOCC6)CC5)n4c3)ccc2o1
InChIInChI=1S/C24H26N6O3/c25-24-27-19-13-16(1-3-21(19)33-24)17-2-4-22-26-14-20(30(22)15-17)23(31)29-7-5-18(6-8-29)28-9-11-32-12-10-28/h1-4,13-15,18H,5-12H2,(H2,25,27)
InChIKeyYTEYICGUVUADEW-UHFFFAOYSA-N
XLogP2.66
TPSA102.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Serabelisib
CID 70798655
CA-4948
CID 118224238
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
PI3Kalpha-IN-9
CID 164886635
7-chloro-2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234666
1-ethyl-N-(5-ethyl-1,3-oxazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164627154
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
CID 71542383
mTOR/HDAC-IN-1
CID 163321997
5-[2-(4-Piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-dihydroindol-2-one
CID 57399234
7-chloro-N-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 68235235
7-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235249
6-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235253

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 70798561) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCOCC6)CC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is YTEYICGUVUADEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c25-24-27-19-13-16(1-3-21(19)33-24)17-2-4-22-26-14-20(30(22)15-17)23(31)29-7-5-18(6-8-29)28-9-11-32-12-10-28/h1-4,13-15,18H,5-12H2,(H2,25,27).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 446.51 g/mol, XLogP of 2.66, 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]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 70798561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).