7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline

C41H25Cl3N12S3 — CID 158066567

IUPAC7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESClc1ccc(-c2cnc3cc4cn[nH]c4cc3n2)s1.Cn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.Cn1ncc2cc3ncc(-c4ccc(Cl)s4)nc3cc21
InChIInChI=1S/2C14H9ClN4S.C13H7ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13;1-19-12-5-10-9(4-8(12)6-17-19)16-7-11(18-10)13-2-3-14(15)20-13;14-13-2-1-12(19-13)11-6-15-9-3-7-5-16-18-8(7)4-10(9)17-11/h2*2-7H,1H3;1-6H,(H,16,18)
InChIKeyFLHKXRWAAXMZMS-UHFFFAOYSA-N
MW888.29 g/mol
LogP11.68
Rot. Bonds3

About 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline

7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline (PubChem CID 158066567) has the molecular formula C41H25Cl3N12S3 and a molecular weight of 888.29 g/mol. Its IUPAC name is 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline
PubChem CID158066567
Molecular FormulaC41H25Cl3N12S3
Molecular Weight888.29 g/mol
Exact Mass886.06
IUPAC Name7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline
SMILESClc1ccc(-c2cnc3cc4cn[nH]c4cc3n2)s1.Cn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.Cn1ncc2cc3ncc(-c4ccc(Cl)s4)nc3cc21
InChIInChI=1S/2C14H9ClN4S.C13H7ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13;1-19-12-5-10-9(4-8(12)6-17-19)16-7-11(18-10)13-2-3-14(15)20-13;14-13-2-1-12(19-13)11-6-15-9-3-7-5-16-18-8(7)4-10(9)17-11/h2*2-7H,1H3;1-6H,(H,16,18)
InChIKeyFLHKXRWAAXMZMS-UHFFFAOYSA-N
XLogP11.68
TPSA141.66 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.29
LogP ≤ 511.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
The IUPAC name of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline (CID 158066567) is 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline is Clc1ccc(-c2cnc3cc4cn[nH]c4cc3n2)s1.Cn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.Cn1ncc2cc3ncc(-c4ccc(Cl)s4)nc3cc21.
What is the InChIKey of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
The InChIKey is FLHKXRWAAXMZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H9ClN4S.C13H7ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13;1-19-12-5-10-9(4-8(12)6-17-19)16-7-11(18-10)13-2-3-14(15)20-13;14-13-2-1-12(19-13)11-6-15-9-3-7-5-16-18-8(7)4-10(9)17-11/h2*2-7H,1H3;1-6H,(H,16,18).
What are the key properties of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline?
7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline has a molecular weight of 888.29 g/mol, XLogP of 11.68, 3 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 158066567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).