(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H17N3O4 — CID 7598415

IUPAC(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccn1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C22H17N3O4/c1-3-13-7-8-16-14(11-13)20(26)18-19(15-6-4-5-9-23-15)25(22(27)21(18)28-16)17-10-12(2)29-24-17/h4-11,19H,3H2,1-2H3/t19-/m0/s1
InChIKeyAJJDICDQUNGESK-IBGZPJMESA-N
MW387.40 g/mol
LogP3.80
Rot. Bonds3

About (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7598415) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7598415
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccn1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C22H17N3O4/c1-3-13-7-8-16-14(11-13)20(26)18-19(15-6-4-5-9-23-15)25(22(27)21(18)28-16)17-10-12(2)29-24-17/h4-11,19H,3H2,1-2H3/t19-/m0/s1
InChIKeyAJJDICDQUNGESK-IBGZPJMESA-N
XLogP3.80
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Launch Full Analysis

Related Compounds

7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4912033
(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7633322
(13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 7554879
7-ethyl-2-(2-methylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473057
methyl 4-[(1S)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 41417629
7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473063
(1R)-7-chloro-6-methyl-1,2-dipyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7620958
1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708827
(1S)-7-fluoro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7554542
7-fluoro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4976084
7-fluoro-2-(4-methyl-2-pyridinyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4912458
6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4903810

Frequently Asked Questions

What is the IUPAC name of (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7598415) is (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccn1)N(c1cc(C)on1)C3=O.
What is the InChIKey of (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AJJDICDQUNGESK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17N3O4/c1-3-13-7-8-16-14(11-13)20(26)18-19(15-6-4-5-9-23-15)25(22(27)21(18)28-16)17-10-12(2)29-24-17/h4-11,19H,3H2,1-2H3/t19-/m0/s1.
What are the key properties of (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 387.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7598415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).