1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate

C112H93N19O11S3 — CID 159485157

IUPAC1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-c3ncn(C)n3)c1)n2S(=O)(=O)c1ccccc1.Cn1cnc(-c2cccc(-c3cc4c(C(=O)O)cnc(N(Cc5ccccc5)Cc5ccccc5)c4n3S(=O)(=O)c3ccccc3)c2)n1.Cn1cnc(-c2cccc(-c3cc4c(C(N)=O)cnc(N(Cc5ccccc5)Cc5ccccc5)c4n3S(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C38H32N6O4S.C37H31N7O3S.C37H30N6O4S/c1-42-26-40-36(41-42)30-18-12-17-29(21-30)34-22-32-33(38(45)48-2)23-39-37(35(32)44(34)49(46,47)31-19-10-5-11-20-31)43(24-27-13-6-3-7-14-27)25-28-15-8-4-9-16-28;1-42-25-40-36(41-42)29-17-11-16-28(20-29)33-21-31-32(35(38)45)22-39-37(34(31)44(33)48(46,47)30-18-9-4-10-19-30)43(23-26-12-5-2-6-13-26)24-27-14-7-3-8-15-27;1-41-25-39-35(40-41)29-17-11-16-28(20-29)33-21-31-32(37(44)45)22-38-36(34(31)43(33)48(46,47)30-18-9-4-10-19-30)42(23-26-12-5-2-6-13-26)24-27-14-7-3-8-15-27/h3-23,26H,24-25H2,1-2H3;2-22,25H,23-24H2,1H3,(H2,38,45);2-22,25H,23-24H2,1H3,(H,44,45)
InChIKeyLXMHMMHGIYVFCC-UHFFFAOYSA-N
MW1977.30 g/mol
LogP19.41
Rot. Bonds30

About 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate

1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 159485157) has the molecular formula C112H93N19O11S3 and a molecular weight of 1977.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID159485157
Molecular FormulaC112H93N19O11S3
Molecular Weight1977.30 g/mol
Exact Mass1975.65
IUPAC Name1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-c3ncn(C)n3)c1)n2S(=O)(=O)c1ccccc1.Cn1cnc(-c2cccc(-c3cc4c(C(=O)O)cnc(N(Cc5ccccc5)Cc5ccccc5)c4n3S(=O)(=O)c3ccccc3)c2)n1.Cn1cnc(-c2cccc(-c3cc4c(C(N)=O)cnc(N(Cc5ccccc5)Cc5ccccc5)c4n3S(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C38H32N6O4S.C37H31N7O3S.C37H30N6O4S/c1-42-26-40-36(41-42)30-18-12-17-29(21-30)34-22-32-33(38(45)48-2)23-39-37(35(32)44(34)49(46,47)31-19-10-5-11-20-31)43(24-27-13-6-3-7-14-27)25-28-15-8-4-9-16-28;1-42-25-40-36(41-42)29-17-11-16-28(20-29)33-21-31-32(35(38)45)22-39-37(34(31)44(33)48(46,47)30-18-9-4-10-19-30)43(23-26-12-5-2-6-13-26)24-27-14-7-3-8-15-27;1-41-25-39-35(40-41)29-17-11-16-28(20-29)33-21-31-32(37(44)45)22-38-36(34(31)43(33)48(46,47)30-18-9-4-10-19-30)42(23-26-12-5-2-6-13-26)24-27-14-7-3-8-15-27/h3-23,26H,24-25H2,1-2H3;2-22,25H,23-24H2,1H3,(H2,38,45);2-22,25H,23-24H2,1H3,(H,44,45)
InChIKeyLXMHMMHGIYVFCC-UHFFFAOYSA-N
XLogP19.41
TPSA364.42 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001977.30
LogP ≤ 519.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

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Related Compounds

Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634497
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634921
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635210
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(2-methyltetrazol-5-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635248
5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide;[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone;methyl 3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]benzoate;2-(5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157760918
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634457
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634462
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634494
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(triazol-2-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634898
1-(Benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid
CID 146634899
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634900
Methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146634905

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate (CID 159485157) is 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-c3ncn(C)n3)c1)n2S(=O)(=O)c1ccccc1.Cn1cnc(-c2cccc(-c3cc4c(C(=O)O)cnc(N(Cc5ccccc5)Cc5ccccc5)c4n3S(=O)(=O)c3ccccc3)c2)n1.Cn1cnc(-c2cccc(-c3cc4c(C(N)=O)cnc(N(Cc5ccccc5)Cc5ccccc5)c4n3S(=O)(=O)c3ccccc3)c2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is LXMHMMHGIYVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N6O4S.C37H31N7O3S.C37H30N6O4S/c1-42-26-40-36(41-42)30-18-12-17-29(21-30)34-22-32-33(38(45)48-2)23-39-37(35(32)44(34)49(46,47)31-19-10-5-11-20-31)43(24-27-13-6-3-7-14-27)25-28-15-8-4-9-16-28;1-42-25-40-36(41-42)29-17-11-16-28(20-29)33-21-31-32(35(38)45)22-39-37(34(31)44(33)48(46,47)30-18-9-4-10-19-30)43(23-26-12-5-2-6-13-26)24-27-14-7-3-8-15-27;1-41-25-39-35(40-41)29-17-11-16-28(20-29)33-21-31-32(37(44)45)22-38-36(34(31)43(33)48(46,47)30-18-9-4-10-19-30)42(23-26-12-5-2-6-13-26)24-27-14-7-3-8-15-27/h3-23,26H,24-25H2,1-2H3;2-22,25H,23-24H2,1H3,(H2,38,45);2-22,25H,23-24H2,1H3,(H,44,45).
What are the key properties of 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate?
1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 1977.30 g/mol, XLogP of 19.41, 30 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylic acid;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 159485157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).