6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C40H41N9O3 — CID 159121816

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCNc1nc2ncc(-c3c(C)noc3C)cc2n1C(C)c1ccccc1.Cc1noc(C)c1-c1cnc2[nH]c(=O)n(C(C)c3ccccc3)c2c1
InChIInChI=1S/C21H23N5O.C19H18N4O2/c1-5-22-21-24-20-18(26(21)14(3)16-9-7-6-8-10-16)11-17(12-23-20)19-13(2)25-27-15(19)4;1-11-17(13(3)25-22-11)15-9-16-18(20-10-15)21-19(24)23(16)12(2)14-7-5-4-6-8-14/h6-12,14H,5H2,1-4H3,(H,22,23,24);4-10,12H,1-3H3,(H,20,21,24)
InChIKeyKFUBIKJSGSQCHD-UHFFFAOYSA-N
MW695.83 g/mol
LogP8.35
Rot. Bonds8

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 159121816) has the molecular formula C40H41N9O3 and a molecular weight of 695.83 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID159121816
Molecular FormulaC40H41N9O3
Molecular Weight695.83 g/mol
Exact Mass695.33
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCNc1nc2ncc(-c3c(C)noc3C)cc2n1C(C)c1ccccc1.Cc1noc(C)c1-c1cnc2[nH]c(=O)n(C(C)c3ccccc3)c2c1
InChIInChI=1S/C21H23N5O.C19H18N4O2/c1-5-22-21-24-20-18(26(21)14(3)16-9-7-6-8-10-16)11-17(12-23-20)19-13(2)25-27-15(19)4;1-11-17(13(3)25-22-11)15-9-16-18(20-10-15)21-19(24)23(16)12(2)14-7-5-4-6-8-14/h6-12,14H,5H2,1-4H3,(H,22,23,24);4-10,12H,1-3H3,(H,20,21,24)
InChIKeyKFUBIKJSGSQCHD-UHFFFAOYSA-N
XLogP8.35
TPSA145.48 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500695.83
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 159121816) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one is CCNc1nc2ncc(-c3c(C)noc3C)cc2n1C(C)c1ccccc1.Cc1noc(C)c1-c1cnc2[nH]c(=O)n(C(C)c3ccccc3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KFUBIKJSGSQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C19H18N4O2/c1-5-22-21-24-20-18(26(21)14(3)16-9-7-6-8-10-16)11-17(12-23-20)19-13(2)25-27-15(19)4;1-11-17(13(3)25-22-11)15-9-16-18(20-10-15)21-19(24)23(16)12(2)14-7-5-4-6-8-14/h6-12,14H,5H2,1-4H3,(H,22,23,24);4-10,12H,1-3H3,(H,20,21,24).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 695.83 g/mol, XLogP of 8.35, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-1-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 159121816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).