[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

C21H19N5O4 — CID 70798783

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC6(C5)OCCO6)n4c3)ccc2o1
InChIInChI=1S/C21H19N5O4/c22-20-24-15-9-13(1-3-17(15)30-20)14-2-4-18-23-10-16(26(18)11-14)19(27)25-6-5-21(12-25)28-7-8-29-21/h1-4,9-11H,5-8,12H2,(H2,22,24)
InChIKeyINWDKLGGIJFELR-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.31
Rot. Bonds2

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 70798783) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID70798783
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC6(C5)OCCO6)n4c3)ccc2o1
InChIInChI=1S/C21H19N5O4/c22-20-24-15-9-13(1-3-17(15)30-20)14-2-4-18-23-10-16(26(18)11-14)19(27)25-6-5-21(12-25)28-7-8-29-21/h1-4,9-11H,5-8,12H2,(H2,22,24)
InChIKeyINWDKLGGIJFELR-UHFFFAOYSA-N
XLogP2.31
TPSA108.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone with MolForge

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Related Compounds

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
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-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 70798705
7-chloro-2-ethyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 117859398
6-chloro-2-ethyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 117859399
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 2954481
2-(1-{[2-(Pyrrolidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-3-yl)-1,3-benzoxazole
CID 16187543
6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164610761

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 70798783) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCC6(C5)OCCO6)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is INWDKLGGIJFELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c22-20-24-15-9-13(1-3-17(15)30-20)14-2-4-18-23-10-16(26(18)11-14)19(27)25-6-5-21(12-25)28-7-8-29-21/h1-4,9-11H,5-8,12H2,(H2,22,24).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 405.41 g/mol, XLogP of 2.31, 2 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]-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 70798783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).