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

C131H127F4N25O18S6 — CID 159250467

IUPACN-[[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
SMILESC#Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1.CC(C)CN1CCC(S(=O)c2ccc(CNC(=O)C3=CC4C=CN=C4C=C3)nc2)CC1.CC(F)(F)CN1CCC(S(=O)c2ccc(CNC(=O)C3=CC4C=CN=C4C=C3)nc2)CC1.CC(F)(F)c1cncc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)c1.CCCn1ccc(S(=O)(=O)c2ccc(CNC(=O)C3=Cc4cnccc4C3)nc2)c1.Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1
InChIInChI=1S/C24H30N4O2S.C23H26F2N4O2S.C22H22N4O3S.C21H19F2N5O3S.C21H14N4O4S.C20H16N4O4S/c1-17(2)16-28-11-8-21(9-12-28)31(30)22-5-4-20(26-15-22)14-27-24(29)19-3-6-23-18(13-19)7-10-25-23;1-23(24,25)15-29-10-7-19(8-11-29)32(31)20-4-3-18(27-14-20)13-28-22(30)17-2-5-21-16(12-17)6-9-26-21;1-2-8-26-9-6-21(15-26)30(28,29)20-4-3-19(24-14-20)13-25-22(27)17-10-16-5-7-23-12-18(16)11-17;1-21(22,23)16-6-19(10-25-8-16)32(30,31)18-3-2-17(26-11-18)9-27-20(29)28-12-14-4-5-24-7-15(14)13-28;1-2-14-7-18(11-23-9-14)30(27,28)17-4-3-16(24-12-17)10-25-21(26)19-8-15-5-6-22-13-20(15)29-19;1-13-6-17(10-22-8-13)29(26,27)16-3-2-15(23-11-16)9-24-20(25)18-7-14-4-5-21-12-19(14)28-18/h3-7,10,13,15,17-18,21H,8-9,11-12,14,16H2,1-2H3,(H,27,29);2-6,9,12,14,16,19H,7-8,10-11,13,15H2,1H3,(H,28,30);3-7,9,11-12,14-15H,2,8,10,13H2,1H3,(H,25,27);2-8,10-11H,9,12-13H2,1H3,(H,27,29);1,3-9,11-13H,10H2,(H,25,26);2-8,10-12H,9H2,1H3,(H,24,25)
InChIKeyKVFQQMQFVBMNMP-UHFFFAOYSA-N
MW2608.01 g/mol
LogP16.88
Rot. Bonds36

About 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

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 (PubChem CID 159250467) has the molecular formula C131H127F4N25O18S6 and a molecular weight of 2608.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID159250467
Molecular FormulaC131H127F4N25O18S6
Molecular Weight2608.01 g/mol
Exact Mass2605.81
IUPAC NameN-[[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
SMILESC#Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1.CC(C)CN1CCC(S(=O)c2ccc(CNC(=O)C3=CC4C=CN=C4C=C3)nc2)CC1.CC(F)(F)CN1CCC(S(=O)c2ccc(CNC(=O)C3=CC4C=CN=C4C=C3)nc2)CC1.CC(F)(F)c1cncc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)c1.CCCn1ccc(S(=O)(=O)c2ccc(CNC(=O)C3=Cc4cnccc4C3)nc2)c1.Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1
InChIInChI=1S/C24H30N4O2S.C23H26F2N4O2S.C22H22N4O3S.C21H19F2N5O3S.C21H14N4O4S.C20H16N4O4S/c1-17(2)16-28-11-8-21(9-12-28)31(30)22-5-4-20(26-15-22)14-27-24(29)19-3-6-23-18(13-19)7-10-25-23;1-23(24,25)15-29-10-7-19(8-11-29)32(31)20-4-3-18(27-14-20)13-28-22(30)17-2-5-21-16(12-17)6-9-26-21;1-2-8-26-9-6-21(15-26)30(28,29)20-4-3-19(24-14-20)13-25-22(27)17-10-16-5-7-23-12-18(16)11-17;1-21(22,23)16-6-19(10-25-8-16)32(30,31)18-3-2-17(26-11-18)9-27-20(29)28-12-14-4-5-24-7-15(14)13-28;1-2-14-7-18(11-23-9-14)30(27,28)17-4-3-16(24-12-17)10-25-21(26)19-8-15-5-6-22-13-20(15)29-19;1-13-6-17(10-22-8-13)29(26,27)16-3-2-15(23-11-16)9-24-20(25)18-7-14-4-5-21-12-19(14)28-18/h3-7,10,13,15,17-18,21H,8-9,11-12,14,16H2,1-2H3,(H,27,29);2-6,9,12,14,16,19H,7-8,10-11,13,15H2,1H3,(H,28,30);3-7,9,11-12,14-15H,2,8,10,13H2,1H3,(H,25,27);2-8,10-11H,9,12-13H2,1H3,(H,27,29);1,3-9,11-13H,10H2,(H,25,26);2-8,10-12H,9H2,1H3,(H,24,25)
InChIKeyKVFQQMQFVBMNMP-UHFFFAOYSA-N
XLogP16.88
TPSA578.52 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002608.01
LogP ≤ 516.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonylpyridin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012278
N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118160900
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinylpyridin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012342
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193583
N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylpyridin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193605
N-[[5-[[5-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193622
N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(1-cyclopentylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[5-[4-(oxan-4-yl)piperazin-1-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[1-(oxolan-3-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 160077287
2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 160660911
N-[(5-cyclohexylsulfonyl-2-pyridinyl)methyl]furo[2,3-c]pyridine-2-carboxamide;bis(N-[[5-(3-fluoro-5-methylphenyl)sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide);N-[[5-(3-fluoro-5-methylphenyl)sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 161794464
N-[(5-cyclohexylsulfonyl-2-pyridinyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[4-(4-methylpiperazin-1-yl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 162264934
N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-[2-[[2-(3,5-dioxo-2H-pyrazin-2-yl)acetyl]-ethylamino]ethyl]cyclopropyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1,1-dioxothiolan-3-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 158050021
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1.CC(C)CN1CCC(S(=O)c2ccc(CNC(=O)C3=CC4C=CN=C4C=C3)nc2)CC1.CC(F)(F)CN1CCC(S(=O)c2ccc(CNC(=O)C3=CC4C=CN=C4C=C3)nc2)CC1.CC(F)(F)c1cncc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)c1.CCCn1ccc(S(=O)(=O)c2ccc(CNC(=O)C3=Cc4cnccc4C3)nc2)c1.Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1.
What is the InChIKey of 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?
The InChIKey is KVFQQMQFVBMNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S.C23H26F2N4O2S.C22H22N4O3S.C21H19F2N5O3S.C21H14N4O4S.C20H16N4O4S/c1-17(2)16-28-11-8-21(9-12-28)31(30)22-5-4-20(26-15-22)14-27-24(29)19-3-6-23-18(13-19)7-10-25-23;1-23(24,25)15-29-10-7-19(8-11-29)32(31)20-4-3-18(27-14-20)13-28-22(30)17-2-5-21-16(12-17)6-9-26-21;1-2-8-26-9-6-21(15-26)30(28,29)20-4-3-19(24-14-20)13-25-22(27)17-10-16-5-7-23-12-18(16)11-17;1-21(22,23)16-6-19(10-25-8-16)32(30,31)18-3-2-17(26-11-18)9-27-20(29)28-12-14-4-5-24-7-15(14)13-28;1-2-14-7-18(11-23-9-14)30(27,28)17-4-3-16(24-12-17)10-25-21(26)19-8-15-5-6-22-13-20(15)29-19;1-13-6-17(10-22-8-13)29(26,27)16-3-2-15(23-11-16)9-24-20(25)18-7-14-4-5-21-12-19(14)28-18/h3-7,10,13,15,17-18,21H,8-9,11-12,14,16H2,1-2H3,(H,27,29);2-6,9,12,14,16,19H,7-8,10-11,13,15H2,1H3,(H,28,30);3-7,9,11-12,14-15H,2,8,10,13H2,1H3,(H,25,27);2-8,10-11H,9,12-13H2,1H3,(H,27,29);1,3-9,11-13H,10H2,(H,25,26);2-8,10-12H,9H2,1H3,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 2608.01 g/mol, XLogP of 16.88, 36 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159250467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).