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

C19H11ClN4O3S — CID 4898474

IUPAC7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccncc2)s1
InChIInChI=1S/C19H11ClN4O3S/c1-9-22-23-19(28-9)24-15(10-4-6-21-7-5-10)14-16(25)12-8-11(20)2-3-13(12)27-17(14)18(24)26/h2-8,15H,1H3
InChIKeyJOIGHAYEQQUXJI-UHFFFAOYSA-N
MW410.84 g/mol
LogP3.75
Rot. Bonds2

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

7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4898474) has the molecular formula C19H11ClN4O3S and a molecular weight of 410.84 g/mol. Its IUPAC name is 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4898474
Molecular FormulaC19H11ClN4O3S
Molecular Weight410.84 g/mol
Exact Mass410.02
IUPAC Name7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccncc2)s1
InChIInChI=1S/C19H11ClN4O3S/c1-9-22-23-19(28-9)24-15(10-4-6-21-7-5-10)14-16(25)12-8-11(20)2-3-13(12)27-17(14)18(24)26/h2-8,15H,1H3
InChIKeyJOIGHAYEQQUXJI-UHFFFAOYSA-N
XLogP3.75
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3417693
7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4271735
7-bromo-1-(4-bromophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704936
(1S)-7-chloro-1-(4-chlorophenyl)-2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 34318341
7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4253965
(1R)-7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2004774
(1S)-7-chloro-1-(3-methoxy-4-propoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015929
7-chloro-1-(3-ethoxy-4-propoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704894
7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704891
7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4893648
(1R)-7-chloro-1-(4-chlorophenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40971201
7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3709492

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 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) is 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccncc2)s1.
What is the InChIKey of 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JOIGHAYEQQUXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O3S/c1-9-22-23-19(28-9)24-15(10-4-6-21-7-5-10)14-16(25)12-8-11(20)2-3-13(12)27-17(14)18(24)26/h2-8,15H,1H3.
What are the key properties of 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.84 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4898474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).