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

C63H50N12O10S3 — CID 90013220

IUPACN-[[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
SMILESCc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c1.Cc1ncccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1.N#Cc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C22H15N3O4S.C21H18N4O3S.C20H17N5O3S/c23-12-17-3-1-2-4-21(17)30(27,28)18-7-5-15(6-8-18)13-25-22(26)19-11-16-9-10-24-14-20(16)29-19;1-15-3-2-4-19(11-15)29(27,28)18-7-5-16(6-8-18)12-23-20(26)17-13-24-21-22-9-10-25(21)14-17;1-13-18(3-2-8-21-13)29(27,28)17-6-4-14(5-7-17)10-23-20(26)16-9-15-12-24-25-19(15)22-11-16/h1-11,14H,13H2,(H,25,26);2-11,13-14H,12H2,1H3,(H,23,26);2-9,11-12H,10H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyVJCADWVUGPOVBJ-UHFFFAOYSA-N
MW1231.37 g/mol
LogP8.69
Rot. Bonds15

About 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

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 (PubChem CID 90013220) has the molecular formula C63H50N12O10S3 and a molecular weight of 1231.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID90013220
Molecular FormulaC63H50N12O10S3
Molecular Weight1231.37 g/mol
Exact Mass1230.29
IUPAC NameN-[[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
SMILESCc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c1.Cc1ncccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1.N#Cc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C22H15N3O4S.C21H18N4O3S.C20H17N5O3S/c23-12-17-3-1-2-4-21(17)30(27,28)18-7-5-15(6-8-18)13-25-22(26)19-11-16-9-10-24-14-20(16)29-19;1-15-3-2-4-19(11-15)29(27,28)18-7-5-16(6-8-18)12-23-20(26)17-13-24-21-22-9-10-25(21)14-17;1-13-18(3-2-8-21-13)29(27,28)17-6-4-14(5-7-17)10-23-20(26)16-9-15-12-24-25-19(15)22-11-16/h1-11,14H,13H2,(H,25,26);2-11,13-14H,12H2,1H3,(H,23,26);2-9,11-12H,10H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyVJCADWVUGPOVBJ-UHFFFAOYSA-N
XLogP8.69
TPSA324.19 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.37
LogP ≤ 58.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c1.Cc1ncccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1.N#Cc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1.
What is the InChIKey of 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?
The InChIKey is VJCADWVUGPOVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4S.C21H18N4O3S.C20H17N5O3S/c23-12-17-3-1-2-4-21(17)30(27,28)18-7-5-15(6-8-18)13-25-22(26)19-11-16-9-10-24-14-20(16)29-19;1-15-3-2-4-19(11-15)29(27,28)18-7-5-16(6-8-18)12-23-20(26)17-13-24-21-22-9-10-25(21)14-17;1-13-18(3-2-8-21-13)29(27,28)17-6-4-14(5-7-17)10-23-20(26)16-9-15-12-24-25-19(15)22-11-16/h1-11,14H,13H2,(H,25,26);2-11,13-14H,12H2,1H3,(H,23,26);2-9,11-12H,10H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 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?
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 has a molecular weight of 1231.37 g/mol, XLogP of 8.69, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90013220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).