N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C47H49N11O9S3 — CID 158322045

IUPACN-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESNC1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cnc2[nH]ncc2c1.O=C(O)c1cc2ccncc2o1
InChIInChI=1S/C21H24N4O3S2.C18H20N6O3S.C8H5NO3/c22-16-3-5-17(6-4-16)25-30(27,28)18-7-1-14(2-8-18)12-24-21(26)19-11-15-9-10-23-13-20(15)29-19;25-18(15-9-14-12-22-23-17(14)20-11-15)21-10-13-1-3-16(4-2-13)28(26,27)24-7-5-19-6-8-24;10-8(11)6-3-5-1-2-9-4-7(5)12-6/h1-2,7-11,13,16-17,25H,3-6,12,22H2,(H,24,26);1-4,9,11-12,19H,5-8,10H2,(H,21,25)(H,20,22,23);1-4H,(H,10,11)
InChIKeyGOYVZUYOTRCVIF-UHFFFAOYSA-N
MW1008.18 g/mol
LogP4.78
Rot. Bonds12

About N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 158322045) has the molecular formula C47H49N11O9S3 and a molecular weight of 1008.18 g/mol. Its IUPAC name is N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID158322045
Molecular FormulaC47H49N11O9S3
Molecular Weight1008.18 g/mol
Exact Mass1007.29
IUPAC NameN-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESNC1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cnc2[nH]ncc2c1.O=C(O)c1cc2ccncc2o1
InChIInChI=1S/C21H24N4O3S2.C18H20N6O3S.C8H5NO3/c22-16-3-5-17(6-4-16)25-30(27,28)18-7-1-14(2-8-18)12-24-21(26)19-11-15-9-10-23-13-20(15)29-19;25-18(15-9-14-12-22-23-17(14)20-11-15)21-10-13-1-3-16(4-2-13)28(26,27)24-7-5-19-6-8-24;10-8(11)6-3-5-1-2-9-4-7(5)12-6/h1-2,7-11,13,16-17,25H,3-6,12,22H2,(H,24,26);1-4,9,11-12,19H,5-8,10H2,(H,21,25)(H,20,22,23);1-4H,(H,10,11)
InChIKeyGOYVZUYOTRCVIF-UHFFFAOYSA-N
XLogP4.78
TPSA297.59 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.18
LogP ≤ 54.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[[4-[[6-[2-[3-fluoro-4-[[4-[(1H-pyrazolo[3,4-b]pyridine-5-carbonylamino)methyl]phenyl]sulfonylamino]piperidin-1-yl]ethylamino]-3-pyridinyl]-methylidene-oxo-lambda6-sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123296397
N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[4-(cyanomethyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-cyanopiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[4-(3,3-difluorobutyl)piperidin-1-yl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158088151
N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90012579
N-[[4-(2-cyanophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[(2-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90013220
N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90018680
N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157435570
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
CID 159681765
N-[[5-(3,4-dimethoxyphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3,4-dimethoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(3,4-dimethoxyphenyl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 162252412
N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid
CID 172702626

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 158322045) is N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is NC1CCC(NS(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cnc2[nH]ncc2c1.O=C(O)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GOYVZUYOTRCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2.C18H20N6O3S.C8H5NO3/c22-16-3-5-17(6-4-16)25-30(27,28)18-7-1-14(2-8-18)12-24-21(26)19-11-15-9-10-23-13-20(15)29-19;25-18(15-9-14-12-22-23-17(14)20-11-15)21-10-13-1-3-16(4-2-13)28(26,27)24-7-5-19-6-8-24;10-8(11)6-3-5-1-2-9-4-7(5)12-6/h1-2,7-11,13,16-17,25H,3-6,12,22H2,(H,24,26);1-4,9,11-12,19H,5-8,10H2,(H,21,25)(H,20,22,23);1-4H,(H,10,11).
What are the key properties of N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 1008.18 g/mol, XLogP of 4.78, 12 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 158322045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).