(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H22N2O4 — CID 27308445

IUPAC(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1
InChIInChI=1S/C26H22N2O4/c1-14-8-9-21(27-13-14)28-23(17-6-5-7-18(12-17)31-4)22-24(29)19-10-15(2)16(3)11-20(19)32-25(22)26(28)30/h5-13,23H,1-4H3/t23-/m1/s1
InChIKeyNXYFAHIWJFVNIV-HSZRJFAPSA-N
MW426.47 g/mol
LogP4.87
Rot. Bonds3

About (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27308445) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27308445
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1
InChIInChI=1S/C26H22N2O4/c1-14-8-9-21(27-13-14)28-23(17-6-5-7-18(12-17)31-4)22-24(29)19-10-15(2)16(3)11-20(19)32-25(22)26(28)30/h5-13,23H,1-4H3/t23-/m1/s1
InChIKeyNXYFAHIWJFVNIV-HSZRJFAPSA-N
XLogP4.87
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3548049
7-chloro-1-(3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709168
1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856682
6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709096
(1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308635
2-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856677
1-(3-chlorophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856916
1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856398
1-(3-methoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3692677
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4906400
6,7-dimethyl-2-(4-methyl-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819888
7-chloro-1-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4269347

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27308445) is (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NXYFAHIWJFVNIV-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-14-8-9-21(27-13-14)28-23(17-6-5-7-18(12-17)31-4)22-24(29)19-10-15(2)16(3)11-20(19)32-25(22)26(28)30/h5-13,23H,1-4H3/t23-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 426.47 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27308445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).