N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide

C114H117N31O19S6 — CID 159567285

IUPACN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide
SMILESCC(C)n1ccc(S(=O)(=O)c2ccc(CNC(=O)C3=Cc4cnccc4C3)nc2)c1.CCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)cn1.CCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)cn1.Cn1ncc2c1CN(C(=O)NCc1ccc(S(=O)(=O)c3ccccc3)cn1)C2.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1Cc2cn[nH]c2C1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)N1Cc2cn[nH]c2C1
InChIInChI=1S/C22H22N4O3S.C19H20N6O3S.C19H17N5O4S.C19H19N5O3S.C18H17N5O3S.C17H22N6O3S/c1-15(2)26-8-6-21(14-26)30(28,29)20-4-3-19(24-13-20)12-25-22(27)17-9-16-5-7-23-11-18(16)10-17;1-2-25-13-18(10-23-25)29(27,28)17-4-3-16(21-9-17)8-22-19(26)24-11-14-5-6-20-7-15(14)12-24;1-2-24-12-16(10-23-24)29(26,27)15-4-3-14(21-9-15)8-22-19(25)17-7-13-5-6-20-11-18(13)28-17;1-23-18-13-24(12-14(18)9-22-23)19(25)21-10-15-7-8-17(11-20-15)28(26,27)16-5-3-2-4-6-16;24-18(23-11-13-8-21-22-17(13)12-23)20-9-14-6-7-16(10-19-14)27(25,26)15-4-2-1-3-5-15;24-17(22-11-13-8-20-21-16(13)12-22)19-9-14-4-5-15(10-18-14)27(25,26)23-6-2-1-3-7-23/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,25,27);3-7,9-10,13H,2,8,11-12H2,1H3,(H,22,26);3-7,9-12H,2,8H2,1H3,(H,22,25);2-9,11H,10,12-13H2,1H3,(H,21,25);1-8,10H,9,11-12H2,(H,20,24)(H,21,22);4-5,8,10H,1-3,6-7,9,11-12H2,(H,19,24)(H,20,21)
InChIKeyMHJAPCOURNKOKW-UHFFFAOYSA-N
MW2417.79 g/mol
LogP11.84
Rot. Bonds29

About N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide

N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide (PubChem CID 159567285) has the molecular formula C114H117N31O19S6 and a molecular weight of 2417.79 g/mol. Its IUPAC name is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide
PubChem CID159567285
Molecular FormulaC114H117N31O19S6
Molecular Weight2417.79 g/mol
Exact Mass2415.75
IUPAC NameN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide
SMILESCC(C)n1ccc(S(=O)(=O)c2ccc(CNC(=O)C3=Cc4cnccc4C3)nc2)c1.CCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)cn1.CCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)cn1.Cn1ncc2c1CN(C(=O)NCc1ccc(S(=O)(=O)c3ccccc3)cn1)C2.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1Cc2cn[nH]c2C1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)N1Cc2cn[nH]c2C1
InChIInChI=1S/C22H22N4O3S.C19H20N6O3S.C19H17N5O4S.C19H19N5O3S.C18H17N5O3S.C17H22N6O3S/c1-15(2)26-8-6-21(14-26)30(28,29)20-4-3-19(24-13-20)12-25-22(27)17-9-16-5-7-23-11-18(16)10-17;1-2-25-13-18(10-23-25)29(27,28)17-4-3-16(21-9-17)8-22-19(26)24-11-14-5-6-20-7-15(14)12-24;1-2-24-12-16(10-23-24)29(26,27)15-4-3-14(21-9-15)8-22-19(25)17-7-13-5-6-20-11-18(13)28-17;1-23-18-13-24(12-14(18)9-22-23)19(25)21-10-15-7-8-17(11-20-15)28(26,27)16-5-3-2-4-6-16;24-18(23-11-13-8-21-22-17(13)12-23)20-9-14-6-7-16(10-19-14)27(25,26)15-4-2-1-3-5-15;24-17(22-11-13-8-20-21-16(13)12-22)19-9-14-4-5-15(10-18-14)27(25,26)23-6-2-1-3-7-23/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,25,27);3-7,9-10,13H,2,8,11-12H2,1H3,(H,22,26);3-7,9-12H,2,8H2,1H3,(H,22,25);2-9,11H,10,12-13H2,1H3,(H,21,25);1-8,10H,9,11-12H2,(H,20,24)(H,21,22);4-5,8,10H,1-3,6-7,9,11-12H2,(H,19,24)(H,20,21)
InChIKeyMHJAPCOURNKOKW-UHFFFAOYSA-N
XLogP11.84
TPSA640.54 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002417.79
LogP ≤ 511.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Analyze N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 158492873
N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]-3aH-indole-5-carboxamide;N-[[5-[(5-ethynyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]-3aH-indole-5-carboxamide;N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(1-propylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide
CID 159250467
N-[(5-cyclohexylsulfonyl-2-pyridinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-methylphenyl)sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(1-methylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 157100385
N-[[5-[(5-cyano-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157345752
N-[[6-(1-acetylpyrrolidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(3-methylsulfonylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 158986368
N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[[2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[5-[ethyl(methyl)amino]thiophen-2-yl]sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[(6-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 160406608
N-[[5-[1-(2-methoxyacetyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[1-(2-methoxyacetyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[4-(oxan-4-yl)piperazin-1-yl]sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(3-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 161083983

Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?
The IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide (CID 159567285) is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide is CC(C)n1ccc(S(=O)(=O)c2ccc(CNC(=O)C3=Cc4cnccc4C3)nc2)c1.CCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)cn1.CCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)cn1.Cn1ncc2c1CN(C(=O)NCc1ccc(S(=O)(=O)c3ccccc3)cn1)C2.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1Cc2cn[nH]c2C1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)N1Cc2cn[nH]c2C1.
What is the InChIKey of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?
The InChIKey is MHJAPCOURNKOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S.C19H20N6O3S.C19H17N5O4S.C19H19N5O3S.C18H17N5O3S.C17H22N6O3S/c1-15(2)26-8-6-21(14-26)30(28,29)20-4-3-19(24-13-20)12-25-22(27)17-9-16-5-7-23-11-18(16)10-17;1-2-25-13-18(10-23-25)29(27,28)17-4-3-16(21-9-17)8-22-19(26)24-11-14-5-6-20-7-15(14)12-24;1-2-24-12-16(10-23-24)29(26,27)15-4-3-14(21-9-15)8-22-19(25)17-7-13-5-6-20-11-18(13)28-17;1-23-18-13-24(12-14(18)9-22-23)19(25)21-10-15-7-8-17(11-20-15)28(26,27)16-5-3-2-4-6-16;24-18(23-11-13-8-21-22-17(13)12-23)20-9-14-6-7-16(10-19-14)27(25,26)15-4-2-1-3-5-15;24-17(22-11-13-8-20-21-16(13)12-22)19-9-14-4-5-15(10-18-14)27(25,26)23-6-2-1-3-7-23/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,25,27);3-7,9-10,13H,2,8,11-12H2,1H3,(H,22,26);3-7,9-12H,2,8H2,1H3,(H,22,25);2-9,11H,10,12-13H2,1H3,(H,21,25);1-8,10H,9,11-12H2,(H,20,24)(H,21,22);4-5,8,10H,1-3,6-7,9,11-12H2,(H,19,24)(H,20,21).
What are the key properties of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide has a molecular weight of 2417.79 g/mol, XLogP of 11.84, 29 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide;N-[[5-(1-propan-2-ylpyrrol-3-yl)sulfonyl-2-pyridinyl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide is sourced from PubChem (CID 159567285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).