1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide

C27H32ClN7O5S2 — CID 11490594

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide
SMILESCC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NCCS(N)(=O)=O)cc23)CC1
InChIInChI=1S/C27H32ClN7O5S2/c1-16(2)34-10-7-18(8-11-34)31-27(37)25-20-13-17(26(36)30-9-12-42(29,38)39)3-4-21(20)35(32-25)15-19-14-22(40-33-19)23-5-6-24(28)41-23/h3-6,13-14,16,18H,7-12,15H2,1-2H3,(H,30,36)(H,31,37)(H2,29,38,39)
InChIKeyJVCNTJXHDALTBP-UHFFFAOYSA-N
MW634.18 g/mol
LogP3.08
Rot. Bonds10

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide (PubChem CID 11490594) has the molecular formula C27H32ClN7O5S2 and a molecular weight of 634.18 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide
PubChem CID11490594
Molecular FormulaC27H32ClN7O5S2
Molecular Weight634.18 g/mol
Exact Mass633.16
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide
SMILESCC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NCCS(N)(=O)=O)cc23)CC1
InChIInChI=1S/C27H32ClN7O5S2/c1-16(2)34-10-7-18(8-11-34)31-27(37)25-20-13-17(26(36)30-9-12-42(29,38)39)3-4-21(20)35(32-25)15-19-14-22(40-33-19)23-5-6-24(28)41-23/h3-6,13-14,16,18H,7-12,15H2,1-2H3,(H,30,36)(H,31,37)(H2,29,38,39)
InChIKeyJVCNTJXHDALTBP-UHFFFAOYSA-N
XLogP3.08
TPSA165.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.18
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide (CID 11490594) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide is CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NCCS(N)(=O)=O)cc23)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide?
The InChIKey is JVCNTJXHDALTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN7O5S2/c1-16(2)34-10-7-18(8-11-34)31-27(37)25-20-13-17(26(36)30-9-12-42(29,38)39)3-4-21(20)35(32-25)15-19-14-22(40-33-19)23-5-6-24(28)41-23/h3-6,13-14,16,18H,7-12,15H2,1-2H3,(H,30,36)(H,31,37)(H2,29,38,39).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide has a molecular weight of 634.18 g/mol, XLogP of 3.08, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(2-sulfamoylethyl)indazole-3,5-dicarboxamide is sourced from PubChem (CID 11490594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).