N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid

C200H177N45O12S — CID 159807365

IUPACN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)(O)C#Cc1cccn2ncc(-c3ccc(-c4nn[nH]n4)cc3)c12.COc1ccc2cc(-c3cnn4cccc(C5CCC(C#N)CC5)c34)ccc2n1.COc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)O)c34)ccc2n1.CS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(C5=CCC(C#N)CC5)c34)ccc2c1.N#CC1CCC(c2nccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1.NC(=O)C1CC=C(c2cccn3ncc(-c4ccc(-n5cccn5)cc4)c23)CC1.NC(=O)C1CC=C(c2cccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1.O=C(O)C1CC=C(c2cccn3ncc(-c4ccc(-n5cccn5)cc4)c23)CC1.O=C(O)C1CC=C(c2cccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1
InChIInChI=1S/C25H22N4O2S.C24H22N4O.C23H21N5O.C23H20N4O2.C22H20N6O.C22H19N5O2.C21H19N7.C21H18N4O2.C19H16N6O/c1-32(30,31)28-22-11-10-19-13-21(9-8-20(19)14-22)24-16-27-29-12-2-3-23(25(24)29)18-6-4-17(15-26)5-7-18;1-29-23-11-9-19-13-18(8-10-22(19)27-23)21-15-26-28-12-2-3-20(24(21)28)17-6-4-16(14-25)5-7-17;24-23(29)18-6-4-16(5-7-18)20-3-1-13-28-22(20)21(15-26-28)17-8-10-19(11-9-17)27-14-2-12-25-27;28-23(29)18-6-4-16(5-7-18)20-3-1-13-27-22(20)21(15-25-27)17-8-10-19(11-9-17)26-14-2-12-24-26;23-22(29)17-5-3-15(4-6-17)19-2-1-12-28-21(19)20(14-25-28)16-7-9-18(10-8-16)27-13-11-24-26-27;28-22(29)17-5-3-15(4-6-17)19-2-1-12-27-21(19)20(14-24-27)16-7-9-18(10-8-16)26-13-11-23-25-26;22-13-15-1-3-17(4-2-15)20-21-19(14-25-28(21)11-9-23-20)16-5-7-18(8-6-16)27-12-10-24-26-27;1-21(2,26)9-8-18-20-16(13-23-25(20)11-10-22-18)14-4-6-17-15(12-14)5-7-19(24-17)27-3;1-19(2,26)10-9-14-4-3-11-25-17(14)16(12-20-25)13-5-7-15(8-6-13)18-21-23-24-22-18/h2-3,6,8-14,16-17,28H,4-5,7H2,1H3;2-3,8-13,15-17H,4-7H2,1H3;1-4,8-15,18H,5-7H2,(H2,24,29);1-4,8-15,18H,5-7H2,(H,28,29);1-3,7-14,17H,4-6H2,(H2,23,29);1-3,7-14,17H,4-6H2,(H,28,29);5-12,14-15,17H,1-4H2;4-7,10-13,26H,1-3H3;3-8,11-12,26H,1-2H3,(H,21,22,23,24)
InChIKeyNKONQSBYSUAGAK-UHFFFAOYSA-N
MW3434.99 g/mol
LogP35.15
Rot. Bonds30

About N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid

N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 159807365) has the molecular formula C200H177N45O12S and a molecular weight of 3434.99 g/mol. Its IUPAC name is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound NameN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid
PubChem CID159807365
Molecular FormulaC200H177N45O12S
Molecular Weight3434.99 g/mol
Exact Mass3432.43
IUPAC NameN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)(O)C#Cc1cccn2ncc(-c3ccc(-c4nn[nH]n4)cc3)c12.COc1ccc2cc(-c3cnn4cccc(C5CCC(C#N)CC5)c34)ccc2n1.COc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)O)c34)ccc2n1.CS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(C5=CCC(C#N)CC5)c34)ccc2c1.N#CC1CCC(c2nccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1.NC(=O)C1CC=C(c2cccn3ncc(-c4ccc(-n5cccn5)cc4)c23)CC1.NC(=O)C1CC=C(c2cccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1.O=C(O)C1CC=C(c2cccn3ncc(-c4ccc(-n5cccn5)cc4)c23)CC1.O=C(O)C1CC=C(c2cccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1
InChIInChI=1S/C25H22N4O2S.C24H22N4O.C23H21N5O.C23H20N4O2.C22H20N6O.C22H19N5O2.C21H19N7.C21H18N4O2.C19H16N6O/c1-32(30,31)28-22-11-10-19-13-21(9-8-20(19)14-22)24-16-27-29-12-2-3-23(25(24)29)18-6-4-17(15-26)5-7-18;1-29-23-11-9-19-13-18(8-10-22(19)27-23)21-15-26-28-12-2-3-20(24(21)28)17-6-4-16(14-25)5-7-17;24-23(29)18-6-4-16(5-7-18)20-3-1-13-28-22(20)21(15-26-28)17-8-10-19(11-9-17)27-14-2-12-25-27;28-23(29)18-6-4-16(5-7-18)20-3-1-13-27-22(20)21(15-25-27)17-8-10-19(11-9-17)26-14-2-12-24-26;23-22(29)17-5-3-15(4-6-17)19-2-1-12-28-21(19)20(14-25-28)16-7-9-18(10-8-16)27-13-11-24-26-27;28-22(29)17-5-3-15(4-6-17)19-2-1-12-27-21(19)20(14-24-27)16-7-9-18(10-8-16)26-13-11-23-25-26;22-13-15-1-3-17(4-2-15)20-21-19(14-25-28(21)11-9-23-20)16-5-7-18(8-6-16)27-12-10-24-26-27;1-21(2,26)9-8-18-20-16(13-23-25(20)11-10-22-18)14-4-6-17-15(12-14)5-7-19(24-17)27-3;1-19(2,26)10-9-14-4-3-11-25-17(14)16(12-20-25)13-5-7-15(8-6-13)18-21-23-24-22-18/h2-3,6,8-14,16-17,28H,4-5,7H2,1H3;2-3,8-13,15-17H,4-7H2,1H3;1-4,8-15,18H,5-7H2,(H2,24,29);1-4,8-15,18H,5-7H2,(H,28,29);1-3,7-14,17H,4-6H2,(H2,23,29);1-3,7-14,17H,4-6H2,(H,28,29);5-12,14-15,17H,1-4H2;4-7,10-13,26H,1-3H3;3-8,11-12,26H,1-2H3,(H,21,22,23,24)
InChIKeyNKONQSBYSUAGAK-UHFFFAOYSA-N
XLogP35.15
TPSA726.73 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds30
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003434.99
LogP ≤ 535.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid with MolForge

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Related Compounds

2-[4-[4-[4-(4-Cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide
CID 158774151
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]methanesulfonamide;4-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carboxamide;3-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-3-azabicyclo[3.3.1]nonane-9-carbonitrile;3-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-3-azabicyclo[3.2.1]octane-8-carbonitrile
CID 159843949
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-7-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;8-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 160766503

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid (CID 159807365) is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid is CC(C)(O)C#Cc1cccn2ncc(-c3ccc(-c4nn[nH]n4)cc3)c12.COc1ccc2cc(-c3cnn4cccc(C5CCC(C#N)CC5)c34)ccc2n1.COc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)O)c34)ccc2n1.CS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(C5=CCC(C#N)CC5)c34)ccc2c1.N#CC1CCC(c2nccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1.NC(=O)C1CC=C(c2cccn3ncc(-c4ccc(-n5cccn5)cc4)c23)CC1.NC(=O)C1CC=C(c2cccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1.O=C(O)C1CC=C(c2cccn3ncc(-c4ccc(-n5cccn5)cc4)c23)CC1.O=C(O)C1CC=C(c2cccn3ncc(-c4ccc(-n5ccnn5)cc4)c23)CC1.
What is the InChIKey of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is NKONQSBYSUAGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S.C24H22N4O.C23H21N5O.C23H20N4O2.C22H20N6O.C22H19N5O2.C21H19N7.C21H18N4O2.C19H16N6O/c1-32(30,31)28-22-11-10-19-13-21(9-8-20(19)14-22)24-16-27-29-12-2-3-23(25(24)29)18-6-4-17(15-26)5-7-18;1-29-23-11-9-19-13-18(8-10-22(19)27-23)21-15-26-28-12-2-3-20(24(21)28)17-6-4-16(14-25)5-7-17;24-23(29)18-6-4-16(5-7-18)20-3-1-13-28-22(20)21(15-26-28)17-8-10-19(11-9-17)27-14-2-12-25-27;28-23(29)18-6-4-16(5-7-18)20-3-1-13-27-22(20)21(15-25-27)17-8-10-19(11-9-17)26-14-2-12-24-26;23-22(29)17-5-3-15(4-6-17)19-2-1-12-28-21(19)20(14-25-28)16-7-9-18(10-8-16)27-13-11-24-26-27;28-22(29)17-5-3-15(4-6-17)19-2-1-12-27-21(19)20(14-24-27)16-7-9-18(10-8-16)26-13-11-23-25-26;22-13-15-1-3-17(4-2-15)20-21-19(14-25-28(21)11-9-23-20)16-5-7-18(8-6-16)27-12-10-24-26-27;1-21(2,26)9-8-18-20-16(13-23-25(20)11-10-22-18)14-4-6-17-15(12-14)5-7-19(24-17)27-3;1-19(2,26)10-9-14-4-3-11-25-17(14)16(12-20-25)13-5-7-15(8-6-13)18-21-23-24-22-18/h2-3,6,8-14,16-17,28H,4-5,7H2,1H3;2-3,8-13,15-17H,4-7H2,1H3;1-4,8-15,18H,5-7H2,(H2,24,29);1-4,8-15,18H,5-7H2,(H,28,29);1-3,7-14,17H,4-6H2,(H2,23,29);1-3,7-14,17H,4-6H2,(H,28,29);5-12,14-15,17H,1-4H2;4-7,10-13,26H,1-3H3;3-8,11-12,26H,1-2H3,(H,21,22,23,24).
What are the key properties of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid?
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 3434.99 g/mol, XLogP of 35.15, 30 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 159807365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).