1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one

C209H203N33O16S — CID 157386723

IUPAC1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)Cc1cccc(-c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)c1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(CN4CCCCC4)cc3)n2)C1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(OC4CCC4)cc3)n2)C1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CS(=O)(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.CN(C)C/C=C/C(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1
InChIInChI=1S/C29H31N5O2.C28H21N3O2.C26H31N5O.2C26H24N4O2.C25H24N4O3S.C25H22N4O2.C24H26N4O2/c1-33(2)16-7-11-27(35)34-17-6-8-22(20-34)26-18-23-19-30-32-29(23)28(31-26)21-12-14-25(15-13-21)36-24-9-4-3-5-10-24;1-2-23(32)16-19-7-6-8-21(15-19)26-17-22-18-29-31-28(22)27(30-26)20-11-13-25(14-12-20)33-24-9-4-3-5-10-24;1-2-24(32)31-14-6-7-21(18-31)23-15-22-16-27-29-26(22)25(28-23)20-10-8-19(9-11-20)17-30-12-4-3-5-13-30;1-2-24(31)30-14-6-7-19(17-30)23-15-20-16-27-29-26(20)25(28-23)18-10-12-22(13-11-18)32-21-8-4-3-5-9-21;1-2-24(31)30-14-12-18(13-15-30)23-16-20-17-27-29-26(20)25(28-23)19-8-10-22(11-9-19)32-21-6-4-3-5-7-21;1-2-33(30,31)29-14-6-7-19(17-29)23-15-20-16-26-28-25(20)24(27-23)18-10-12-22(13-11-18)32-21-8-4-3-5-9-21;1-2-23(30)29-13-12-18(16-29)22-14-19-15-26-28-25(19)24(27-22)17-8-10-21(11-9-17)31-20-6-4-3-5-7-20;1-2-22(29)28-12-4-5-17(15-28)21-13-18-14-25-27-24(18)23(26-21)16-8-10-20(11-9-16)30-19-6-3-7-19/h3-5,7,9-15,18-19,22H,6,8,16-17,20H2,1-2H3,(H,30,32);2-15,17-18H,1,16H2,(H,29,31);2,8-11,15-16,21H,1,3-7,12-14,17-18H2,(H,27,29);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,27,29);2-11,16-18H,1,12-15H2,(H,27,29);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,26,28);2-11,14-15,18H,1,12-13,16H2,(H,26,28);2,8-11,13-14,17,19H,1,3-7,12,15H2,(H,25,27)/b11-7+;;;;;;;
InChIKeyBLNGYYRXHAHKTL-KVSAWYFASA-N
MW3465.20 g/mol
LogP41.18
Rot. Bonds45

About 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one

1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 157386723) has the molecular formula C209H203N33O16S and a molecular weight of 3465.20 g/mol. Its IUPAC name is 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID157386723
Molecular FormulaC209H203N33O16S
Molecular Weight3465.20 g/mol
Exact Mass3462.58
IUPAC Name1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)Cc1cccc(-c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)c1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(CN4CCCCC4)cc3)n2)C1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(OC4CCC4)cc3)n2)C1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CS(=O)(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.CN(C)C/C=C/C(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1
InChIInChI=1S/C29H31N5O2.C28H21N3O2.C26H31N5O.2C26H24N4O2.C25H24N4O3S.C25H22N4O2.C24H26N4O2/c1-33(2)16-7-11-27(35)34-17-6-8-22(20-34)26-18-23-19-30-32-29(23)28(31-26)21-12-14-25(15-13-21)36-24-9-4-3-5-10-24;1-2-23(32)16-19-7-6-8-21(15-19)26-17-22-18-29-31-28(22)27(30-26)20-11-13-25(14-12-20)33-24-9-4-3-5-10-24;1-2-24(32)31-14-6-7-21(18-31)23-15-22-16-27-29-26(22)25(28-23)20-10-8-19(9-11-20)17-30-12-4-3-5-13-30;1-2-24(31)30-14-6-7-19(17-30)23-15-20-16-27-29-26(20)25(28-23)18-10-12-22(13-11-18)32-21-8-4-3-5-9-21;1-2-24(31)30-14-12-18(13-15-30)23-16-20-17-27-29-26(20)25(28-23)19-8-10-22(11-9-19)32-21-6-4-3-5-7-21;1-2-33(30,31)29-14-6-7-19(17-29)23-15-20-16-26-28-25(20)24(27-23)18-10-12-22(13-11-18)32-21-8-4-3-5-9-21;1-2-23(30)29-13-12-18(16-29)22-14-19-15-26-28-25(19)24(27-22)17-8-10-21(11-9-17)31-20-6-4-3-5-7-20;1-2-22(29)28-12-4-5-17(15-28)21-13-18-14-25-27-24(18)23(26-21)16-8-10-20(11-9-16)30-19-6-3-7-19/h3-5,7,9-15,18-19,22H,6,8,16-17,20H2,1-2H3,(H,30,32);2-15,17-18H,1,16H2,(H,29,31);2,8-11,15-16,21H,1,3-7,12-14,17-18H2,(H,27,29);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,27,29);2-11,16-18H,1,12-15H2,(H,27,29);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,26,28);2-11,14-15,18H,1,12-13,16H2,(H,26,28);2,8-11,13-14,17,19H,1,3-7,12,15H2,(H,25,27)/b11-7+;;;;;;;
InChIKeyBLNGYYRXHAHKTL-KVSAWYFASA-N
XLogP41.18
TPSA579.96 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003465.20
LogP ≤ 541.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-yn-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[2-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3S)-3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[4-[7-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 158261894
1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 130294635
1-[4-[7-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 130294657
1-[3-[5-amino-4-methanimidoyl-6-(4-phenoxyphenyl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130294679
(E)-1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one;1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-yn-1-one;1-(1-ethenylsulfonylpyrrolidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160916188
8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 141475930
N-[2-(4-cyclopentyloxyphenyl)-4-methyl-6-(1-prop-2-enoylpiperidin-4-yl)-3-pyridinyl]acetamide
CID 146676679
N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide
CID 130294639
1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one
CID 158027048
(E)-4-[cyclopropyl(methyl)amino]-1-[(3R)-3-[[4-(4-phenoxyphenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]piperidin-1-yl]but-2-en-1-one
CID 118623239
(E)-1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-yn-1-one
CID 158772687
5-chloro-N-[(1R,3R)-3-[2-fluoro-4-(2-methylidenebut-3-enyl)phenoxy]cyclohexyl]-4-(1H-indol-3-yl)pyrimidin-2-amine;(E)-1-[4-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxy-3-fluorophenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[4-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-5-(dimethylamino)pent-3-en-2-one
CID 159334939

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one (CID 157386723) is 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)Cc1cccc(-c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)c1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(CN4CCCCC4)cc3)n2)C1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(OC4CCC4)cc3)n2)C1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CS(=O)(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.CN(C)C/C=C/C(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.
What is the InChIKey of 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is BLNGYYRXHAHKTL-KVSAWYFASA-N. The full InChI is InChI=1S/C29H31N5O2.C28H21N3O2.C26H31N5O.2C26H24N4O2.C25H24N4O3S.C25H22N4O2.C24H26N4O2/c1-33(2)16-7-11-27(35)34-17-6-8-22(20-34)26-18-23-19-30-32-29(23)28(31-26)21-12-14-25(15-13-21)36-24-9-4-3-5-10-24;1-2-23(32)16-19-7-6-8-21(15-19)26-17-22-18-29-31-28(22)27(30-26)20-11-13-25(14-12-20)33-24-9-4-3-5-10-24;1-2-24(32)31-14-6-7-21(18-31)23-15-22-16-27-29-26(22)25(28-23)20-10-8-19(9-11-20)17-30-12-4-3-5-13-30;1-2-24(31)30-14-6-7-19(17-30)23-15-20-16-27-29-26(20)25(28-23)18-10-12-22(13-11-18)32-21-8-4-3-5-9-21;1-2-24(31)30-14-12-18(13-15-30)23-16-20-17-27-29-26(20)25(28-23)19-8-10-22(11-9-19)32-21-6-4-3-5-7-21;1-2-33(30,31)29-14-6-7-19(17-29)23-15-20-16-26-28-25(20)24(27-23)18-10-12-22(13-11-18)32-21-8-4-3-5-9-21;1-2-23(30)29-13-12-18(16-29)22-14-19-15-26-28-25(19)24(27-22)17-8-10-21(11-9-17)31-20-6-4-3-5-7-20;1-2-22(29)28-12-4-5-17(15-28)21-13-18-14-25-27-24(18)23(26-21)16-8-10-20(11-9-16)30-19-6-3-7-19/h3-5,7,9-15,18-19,22H,6,8,16-17,20H2,1-2H3,(H,30,32);2-15,17-18H,1,16H2,(H,29,31);2,8-11,15-16,21H,1,3-7,12-14,17-18H2,(H,27,29);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,27,29);2-11,16-18H,1,12-15H2,(H,27,29);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,26,28);2-11,14-15,18H,1,12-13,16H2,(H,26,28);2,8-11,13-14,17,19H,1,3-7,12,15H2,(H,25,27)/b11-7+;;;;;;;.
What are the key properties of 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one?
1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 3465.20 g/mol, XLogP of 41.18, 45 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(4-cyclobutyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]but-2-en-1-one;5-(1-ethenylsulfonylpiperidin-3-yl)-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]but-3-en-2-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 157386723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).