(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C21H19N5O2 — CID 170505766

IUPAC(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2c(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)ccnc2n1C
InChIInChI=1S/C21H19N5O2/c1-13-23-18-15(8-10-22-19(18)25(13)2)21(27)26-11-9-17-16(12-26)24-20(28-17)14-6-4-3-5-7-14/h3-8,10H,9,11-12H2,1-2H3
InChIKeyFBIVUBGNIHHGML-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.13
Rot. Bonds2

About (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170505766) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170505766
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc2c(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)ccnc2n1C
InChIInChI=1S/C21H19N5O2/c1-13-23-18-15(8-10-22-19(18)25(13)2)21(27)26-11-9-17-16(12-26)24-20(28-17)14-6-4-3-5-7-14/h3-8,10H,9,11-12H2,1-2H3
InChIKeyFBIVUBGNIHHGML-UHFFFAOYSA-N
XLogP3.13
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169414023
1,2-dimethyl-6-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
CID 170512533
(3-methyl-1,2-oxazol-5-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504606
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170503699
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419453
(5-fluoro-2-pyridinyl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502779
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 169417462
6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 170508120
(1-ethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504334
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrrolidin-3-ylphenyl)methanone
CID 170511489
3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169414301
3-methylsulfonyl-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 170502048

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170505766) is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is Cc1nc2c(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)ccnc2n1C.
What is the InChIKey of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is FBIVUBGNIHHGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-23-18-15(8-10-22-19(18)25(13)2)21(27)26-11-9-17-16(12-26)24-20(28-17)14-6-4-3-5-7-14/h3-8,10H,9,11-12H2,1-2H3.
What are the key properties of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 373.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170505766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).