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

C181H167N31O13 — CID 158261894

IUPAC1-[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
SMILESC=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(CN4CCCC4)cc3)n2)CC1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCCC1c1cc2cn[nH]c2c(-c2ccc(Oc3ccccc3)cc2)n1.C=CC(=O)N1CC[C@H](c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.CC#CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.CC#CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1
InChIInChI=1S/C27H23N5O2.C27H24N4O2.C26H23N5O2.C26H24N4O2.C25H29N5O.2C25H22N4O2/c1-2-5-25(34)32-13-11-20(17-32)23-14-21-16-29-31-27(21)26(30-23)19-9-7-18(8-10-19)24(33)15-22-6-3-4-12-28-22;1-2-7-25(32)31-15-6-8-20(18-31)24-16-21-17-28-30-27(21)26(29-24)19-11-13-23(14-12-19)33-22-9-4-3-5-10-22;1-2-24(33)31-12-10-19(16-31)22-13-20-15-28-30-26(20)25(29-22)18-8-6-17(7-9-18)23(32)14-21-5-3-4-11-27-21;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;1-2-23(31)30-13-9-19(10-14-30)22-15-21-16-26-28-25(21)24(27-22)20-7-5-18(6-8-20)17-29-11-3-4-12-29;1-2-23(30)29-14-6-9-22(29)21-15-18-16-26-28-25(18)24(27-21)17-10-12-20(13-11-17)31-19-7-4-3-5-8-19;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/h3-4,6-10,12,14,16,20H,11,13,15,17H2,1H3,(H,29,31);3-5,9-14,16-17,20H,6,8,15,18H2,1H3,(H,28,30);2-9,11,13,15,19H,1,10,12,14,16H2,(H,28,30);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,27,29);2,5-8,15-16,19H,1,3-4,9-14,17H2,(H,26,28);2-5,7-8,10-13,15-16,22H,1,6,9,14H2,(H,26,28);2-11,14-15,18H,1,12-13,16H2,(H,26,28)/t;;;;;;18-/m......0/s1
InChIKeyGHYWCALLFDBJBV-QDSCHKEYSA-N
MW2984.53 g/mol
LogP32.49
Rot. Bonds35

About 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

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 (PubChem CID 158261894) has the molecular formula C181H167N31O13 and a molecular weight of 2984.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158261894
Molecular FormulaC181H167N31O13
Molecular Weight2984.53 g/mol
Exact Mass2982.34
IUPAC Name1-[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
SMILESC=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(CN4CCCC4)cc3)n2)CC1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCCC1c1cc2cn[nH]c2c(-c2ccc(Oc3ccccc3)cc2)n1.C=CC(=O)N1CC[C@H](c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.CC#CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.CC#CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1
InChIInChI=1S/C27H23N5O2.C27H24N4O2.C26H23N5O2.C26H24N4O2.C25H29N5O.2C25H22N4O2/c1-2-5-25(34)32-13-11-20(17-32)23-14-21-16-29-31-27(21)26(30-23)19-9-7-18(8-10-19)24(33)15-22-6-3-4-12-28-22;1-2-7-25(32)31-15-6-8-20(18-31)24-16-21-17-28-30-27(21)26(29-24)19-11-13-23(14-12-19)33-22-9-4-3-5-10-22;1-2-24(33)31-12-10-19(16-31)22-13-20-15-28-30-26(20)25(29-22)18-8-6-17(7-9-18)23(32)14-21-5-3-4-11-27-21;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;1-2-23(31)30-13-9-19(10-14-30)22-15-21-16-26-28-25(21)24(27-22)20-7-5-18(6-8-20)17-29-11-3-4-12-29;1-2-23(30)29-14-6-9-22(29)21-15-18-16-26-28-25(18)24(27-21)17-10-12-20(13-11-17)31-19-7-4-3-5-8-19;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/h3-4,6-10,12,14,16,20H,11,13,15,17H2,1H3,(H,29,31);3-5,9-14,16-17,20H,6,8,15,18H2,1H3,(H,28,30);2-9,11,13,15,19H,1,10,12,14,16H2,(H,28,30);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,27,29);2,5-8,15-16,19H,1,3-4,9-14,17H2,(H,26,28);2-5,7-8,10-13,15-16,22H,1,6,9,14H2,(H,26,28);2-11,14-15,18H,1,12-13,16H2,(H,26,28)/t;;;;;;18-/m......0/s1
InChIKeyGHYWCALLFDBJBV-QDSCHKEYSA-N
XLogP32.49
TPSA533.24 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002984.53
LogP ≤ 532.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 130294635
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
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
tert-butyl 2-but-2-ynoylpyrrolidine-1-carboxylate;tert-butyl 2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate;ethyl (Z)-3-amino-3-(4-phenoxyphenyl)prop-2-enoate;ethyl 3-oxo-3-(4-phenoxyphenyl)propanoate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;1-(4-phenoxyphenyl)ethanone;1-[2-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 159236605
1-[3-[5-amino-4-methanimidoyl-6-(4-phenoxyphenyl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130294679
1-[(2S)-2-[8-cyclopropyl-1-[4-(2-pyridin-2-ylacetyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
CID 157387520
1-[(3S)-3-[[7-chloro-3-[4-(2-pyridin-2-ylacetyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]but-2-yn-1-one
CID 157441150
1-[(2S)-2-[1-[4-[(3-chlorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(3-chlorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(phenoxymethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 161193034
N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide
CID 130294639
1-[3-[2-amino-6-(4-phenoxyphenyl)quinazolin-8-yl]piperidin-1-yl]prop-2-en-1-one
CID 134265287
1-[3-[8-methyl-1-(4-phenoxyphenyl)-7,8-dihydroimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 166968967
1-[(2S)-2-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130409158

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(CN4CCCC4)cc3)n2)CC1.C=CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCCC1c1cc2cn[nH]c2c(-c2ccc(Oc3ccccc3)cc2)n1.C=CC(=O)N1CC[C@H](c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.CC#CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.CC#CC(=O)N1CCCC(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)C1.
What is the InChIKey of 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?
The InChIKey is GHYWCALLFDBJBV-QDSCHKEYSA-N. The full InChI is InChI=1S/C27H23N5O2.C27H24N4O2.C26H23N5O2.C26H24N4O2.C25H29N5O.2C25H22N4O2/c1-2-5-25(34)32-13-11-20(17-32)23-14-21-16-29-31-27(21)26(30-23)19-9-7-18(8-10-19)24(33)15-22-6-3-4-12-28-22;1-2-7-25(32)31-15-6-8-20(18-31)24-16-21-17-28-30-27(21)26(29-24)19-11-13-23(14-12-19)33-22-9-4-3-5-10-22;1-2-24(33)31-12-10-19(16-31)22-13-20-15-28-30-26(20)25(29-22)18-8-6-17(7-9-18)23(32)14-21-5-3-4-11-27-21;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;1-2-23(31)30-13-9-19(10-14-30)22-15-21-16-26-28-25(21)24(27-22)20-7-5-18(6-8-20)17-29-11-3-4-12-29;1-2-23(30)29-14-6-9-22(29)21-15-18-16-26-28-25(18)24(27-21)17-10-12-20(13-11-17)31-19-7-4-3-5-8-19;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/h3-4,6-10,12,14,16,20H,11,13,15,17H2,1H3,(H,29,31);3-5,9-14,16-17,20H,6,8,15,18H2,1H3,(H,28,30);2-9,11,13,15,19H,1,10,12,14,16H2,(H,28,30);2-5,8-13,15-16,19H,1,6-7,14,17H2,(H,27,29);2,5-8,15-16,19H,1,3-4,9-14,17H2,(H,26,28);2-5,7-8,10-13,15-16,22H,1,6,9,14H2,(H,26,28);2-11,14-15,18H,1,12-13,16H2,(H,26,28)/t;;;;;;18-/m......0/s1.
What are the key properties of 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?
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 has a molecular weight of 2984.53 g/mol, XLogP of 32.49, 35 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158261894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).