N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C65H54N14O10S3 — CID 88920096

IUPACN-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)cn1.N#Cc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2OCC3)cc1)c1cnc2nccn2c1
InChIInChI=1S/C22H18N4O4S.C22H16N4O3S.C21H20N6O3S/c27-21(17-13-25-22-23-9-10-26(22)14-17)24-12-15-4-6-18(7-5-15)31(28,29)19-3-1-2-16-8-11-30-20(16)19;23-12-16-2-1-3-19(10-16)30(28,29)18-6-4-15(5-7-18)13-25-22(27)21-11-17-14-24-9-8-20(17)26-21;1-26(2)19-8-7-18(13-23-19)31(29,30)17-5-3-15(4-6-17)11-24-20(28)16-12-25-21-22-9-10-27(21)14-16/h1-7,9-10,13-14H,8,11-12H2,(H,24,27);1-11,14,26H,13H2,(H,25,27);3-10,12-14H,11H2,1-2H3,(H,24,28)
InChIKeyKOBBDTPUZVOFJV-UHFFFAOYSA-N
MW1287.44 g/mol
LogP7.58
Rot. Bonds16

About N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 88920096) has the molecular formula C65H54N14O10S3 and a molecular weight of 1287.44 g/mol. Its IUPAC name is N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID88920096
Molecular FormulaC65H54N14O10S3
Molecular Weight1287.44 g/mol
Exact Mass1286.33
IUPAC NameN-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)cn1.N#Cc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2OCC3)cc1)c1cnc2nccn2c1
InChIInChI=1S/C22H18N4O4S.C22H16N4O3S.C21H20N6O3S/c27-21(17-13-25-22-23-9-10-26(22)14-17)24-12-15-4-6-18(7-5-15)31(28,29)19-3-1-2-16-8-11-30-20(16)19;23-12-16-2-1-3-19(10-16)30(28,29)18-6-4-15(5-7-18)13-25-22(27)21-11-17-14-24-9-8-20(17)26-21;1-26(2)19-8-7-18(13-23-19)31(29,30)17-5-3-15(4-6-17)11-24-20(28)16-12-25-21-22-9-10-27(21)14-16/h1-7,9-10,13-14H,8,11-12H2,(H,24,27);1-11,14,26H,13H2,(H,25,27);3-10,12-14H,11H2,1-2H3,(H,24,28)
InChIKeyKOBBDTPUZVOFJV-UHFFFAOYSA-N
XLogP7.58
TPSA327.93 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.44
LogP ≤ 57.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 88920096) is N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is CN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)cn1.N#Cc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2OCC3)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is KOBBDTPUZVOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S.C22H16N4O3S.C21H20N6O3S/c27-21(17-13-25-22-23-9-10-26(22)14-17)24-12-15-4-6-18(7-5-15)31(28,29)19-3-1-2-16-8-11-30-20(16)19;23-12-16-2-1-3-19(10-16)30(28,29)18-6-4-15(5-7-18)13-25-22(27)21-11-17-14-24-9-8-20(17)26-21;1-26(2)19-8-7-18(13-23-19)31(29,30)17-5-3-15(4-6-17)11-24-20(28)16-12-25-21-22-9-10-27(21)14-16/h1-7,9-10,13-14H,8,11-12H2,(H,24,27);1-11,14,26H,13H2,(H,25,27);3-10,12-14H,11H2,1-2H3,(H,24,28).
What are the key properties of N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 1287.44 g/mol, XLogP of 7.58, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyanophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 88920096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).