7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H13ClN4O3S — CID 19134304

IUPAC7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2ccccn2)s1
InChIInChI=1S/C20H13ClN4O3S/c1-9-7-14-11(8-12(9)21)17(26)15-16(13-5-3-4-6-22-13)25(19(27)18(15)28-14)20-24-23-10(2)29-20/h3-8,16H,1-2H3
InChIKeySLYQIIUXFLLYKC-UHFFFAOYSA-N
MW424.87 g/mol
LogP4.06
Rot. Bonds2

About 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134304) has the molecular formula C20H13ClN4O3S and a molecular weight of 424.87 g/mol. Its IUPAC name is 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19134304
Molecular FormulaC20H13ClN4O3S
Molecular Weight424.87 g/mol
Exact Mass424.04
IUPAC Name7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2ccccn2)s1
InChIInChI=1S/C20H13ClN4O3S/c1-9-7-14-11(8-12(9)21)17(26)15-16(13-5-3-4-6-22-13)25(19(27)18(15)28-14)20-24-23-10(2)29-20/h3-8,16H,1-2H3
InChIKeySLYQIIUXFLLYKC-UHFFFAOYSA-N
XLogP4.06
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-7-chloro-6-methyl-1,2-dipyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7620958
7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134600
1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704991
7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134606
7-chloro-6-methyl-2-propyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134579
7-chloro-6-methyl-2-(2-phenylethyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134621
1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471772
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134004
7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134401
1-(4-hydroxyphenyl)-6,7-dimethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704993
7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4898474
7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4271735

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134304) is 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1nnc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2ccccn2)s1.
What is the InChIKey of 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SLYQIIUXFLLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3S/c1-9-7-14-11(8-12(9)21)17(26)15-16(13-5-3-4-6-22-13)25(19(27)18(15)28-14)20-24-23-10(2)29-20/h3-8,16H,1-2H3.
What are the key properties of 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 424.87 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).