N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one

C137H165F2N47O9 — CID 159114596

IUPACN-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one
SMILESC.C#CCC(=O)N1CCCC12CCN(c1ncnc3[nH]ccc13)C2.CC1CCN(C(=O)CC#N)C12CCCN(c1ncnc3[nH]ccc13)C2.CC1CCN(C(=O)CC#N)C12CCN(c1ncnc3[nH]ccc13)C2.C[C@H](O)C(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CC(F)(F)C12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCCNC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C18H23N7O.C18H22N6O.2C17H20N6O.C17H23N5O2.C17H19N5O.C16H16F2N6O.C16H18N6O.CH4/c19-7-3-8-21-17(26)25-11-2-6-18(25)5-1-10-24(12-18)16-14-4-9-20-15(14)22-13-23-16;1-13-5-10-24(15(25)3-7-19)18(13)6-2-9-23(11-18)17-14-4-8-20-16(14)21-12-22-17;1-12-4-8-23(14(24)2-6-18)17(12)5-9-22(10-17)16-13-3-7-19-15(13)20-11-21-16;18-7-3-14(24)23-10-2-6-17(23)5-1-9-22(11-17)16-13-4-8-19-15(13)20-12-21-16;1-12(23)16(24)22-9-3-6-17(22)5-2-8-21(10-17)15-13-4-7-18-14(13)19-11-20-15;1-2-4-14(23)22-9-3-6-17(22)7-10-21(11-17)16-13-5-8-18-15(13)19-12-20-16;17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14;17-6-2-13(23)22-9-5-16(22)4-1-8-21(10-16)15-12-3-7-18-14(12)19-11-20-15;/h4,9,13H,1-3,5-6,8,10-12H2,(H,21,26)(H,20,22,23);4,8,12-13H,2-3,5-6,9-11H2,1H3,(H,20,21,22);3,7,11-12H,2,4-5,8-10H2,1H3,(H,19,20,21);4,8,12H,1-3,5-6,9-11H2,(H,19,20,21);4,7,11-12,23H,2-3,5-6,8-10H2,1H3,(H,18,19,20);1,5,8,12H,3-4,6-7,9-11H2,(H,18,19,20);3,6,10H,1-2,4,7-9H2,(H,20,21,22);3,7,11H,1-2,4-5,8-10H2,(H,18,19,20);1H4/t;;;;12-,17?;;;;/m....0..../s1
InChIKeyKEXPVBZKBKDPEX-JOVDFHMZSA-N
MW2652.14 g/mol
LogP14.24
Rot. Bonds17

About N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one

N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one (PubChem CID 159114596) has the molecular formula C137H165F2N47O9 and a molecular weight of 2652.14 g/mol. Its IUPAC name is N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one.

Molecular Properties

Compound NameN-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one
PubChem CID159114596
Molecular FormulaC137H165F2N47O9
Molecular Weight2652.14 g/mol
Exact Mass2650.39
IUPAC NameN-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one
SMILESC.C#CCC(=O)N1CCCC12CCN(c1ncnc3[nH]ccc13)C2.CC1CCN(C(=O)CC#N)C12CCCN(c1ncnc3[nH]ccc13)C2.CC1CCN(C(=O)CC#N)C12CCN(c1ncnc3[nH]ccc13)C2.C[C@H](O)C(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CC(F)(F)C12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCCNC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C18H23N7O.C18H22N6O.2C17H20N6O.C17H23N5O2.C17H19N5O.C16H16F2N6O.C16H18N6O.CH4/c19-7-3-8-21-17(26)25-11-2-6-18(25)5-1-10-24(12-18)16-14-4-9-20-15(14)22-13-23-16;1-13-5-10-24(15(25)3-7-19)18(13)6-2-9-23(11-18)17-14-4-8-20-16(14)21-12-22-17;1-12-4-8-23(14(24)2-6-18)17(12)5-9-22(10-17)16-13-3-7-19-15(13)20-11-21-16;18-7-3-14(24)23-10-2-6-17(23)5-1-9-22(11-17)16-13-4-8-19-15(13)20-12-21-16;1-12(23)16(24)22-9-3-6-17(22)5-2-8-21(10-17)15-13-4-7-18-14(13)19-11-20-15;1-2-4-14(23)22-9-3-6-17(22)7-10-21(11-17)16-13-5-8-18-15(13)19-12-20-16;17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14;17-6-2-13(23)22-9-5-16(22)4-1-8-21(10-16)15-12-3-7-18-14(12)19-11-20-15;/h4,9,13H,1-3,5-6,8,10-12H2,(H,21,26)(H,20,22,23);4,8,12-13H,2-3,5-6,9-11H2,1H3,(H,20,21,22);3,7,11-12H,2,4-5,8-10H2,1H3,(H,19,20,21);4,8,12H,1-3,5-6,9-11H2,(H,19,20,21);4,7,11-12,23H,2-3,5-6,8-10H2,1H3,(H,18,19,20);1,5,8,12H,3-4,6-7,9-11H2,(H,18,19,20);3,6,10H,1-2,4,7-9H2,(H,20,21,22);3,7,11H,1-2,4-5,8-10H2,(H,18,19,20);1H4/t;;;;12-,17?;;;;/m....0..../s1
InChIKeyKEXPVBZKBKDPEX-JOVDFHMZSA-N
XLogP14.24
TPSA695.96 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds17
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002652.14
LogP ≤ 514.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one?
The IUPAC name of N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one (CID 159114596) is N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one.
What is the SMILES notation for N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one?
The canonical SMILES for N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one is C.C#CCC(=O)N1CCCC12CCN(c1ncnc3[nH]ccc13)C2.CC1CCN(C(=O)CC#N)C12CCCN(c1ncnc3[nH]ccc13)C2.CC1CCN(C(=O)CC#N)C12CCN(c1ncnc3[nH]ccc13)C2.C[C@H](O)C(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CC(F)(F)C12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.N#CCCNC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.
What is the InChIKey of N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one?
The InChIKey is KEXPVBZKBKDPEX-JOVDFHMZSA-N. The full InChI is InChI=1S/C18H23N7O.C18H22N6O.2C17H20N6O.C17H23N5O2.C17H19N5O.C16H16F2N6O.C16H18N6O.CH4/c19-7-3-8-21-17(26)25-11-2-6-18(25)5-1-10-24(12-18)16-14-4-9-20-15(14)22-13-23-16;1-13-5-10-24(15(25)3-7-19)18(13)6-2-9-23(11-18)17-14-4-8-20-16(14)21-12-22-17;1-12-4-8-23(14(24)2-6-18)17(12)5-9-22(10-17)16-13-3-7-19-15(13)20-11-21-16;18-7-3-14(24)23-10-2-6-17(23)5-1-9-22(11-17)16-13-4-8-19-15(13)20-12-21-16;1-12(23)16(24)22-9-3-6-17(22)5-2-8-21(10-17)15-13-4-7-18-14(13)19-11-20-15;1-2-4-14(23)22-9-3-6-17(22)7-10-21(11-17)16-13-5-8-18-15(13)19-12-20-16;17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14;17-6-2-13(23)22-9-5-16(22)4-1-8-21(10-16)15-12-3-7-18-14(12)19-11-20-15;/h4,9,13H,1-3,5-6,8,10-12H2,(H,21,26)(H,20,22,23);4,8,12-13H,2-3,5-6,9-11H2,1H3,(H,20,21,22);3,7,11-12H,2,4-5,8-10H2,1H3,(H,19,20,21);4,8,12H,1-3,5-6,9-11H2,(H,19,20,21);4,7,11-12,23H,2-3,5-6,8-10H2,1H3,(H,18,19,20);1,5,8,12H,3-4,6-7,9-11H2,(H,18,19,20);3,6,10H,1-2,4,7-9H2,(H,20,21,22);3,7,11H,1-2,4-5,8-10H2,(H,18,19,20);1H4/t;;;;12-,17?;;;;/m....0..../s1.
What are the key properties of N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one?
N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one has a molecular weight of 2652.14 g/mol, XLogP of 14.24, 17 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide;3-[3,3-difluoro-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]-3-oxopropanenitrile;(2S)-2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;methane;3-[4-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]-3-oxopropanenitrile;3-[4-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]-3-oxopropanenitrile;3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile;3-oxo-3-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,8-diazaspiro[3.5]nonan-1-yl]propanenitrile;1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]but-3-yn-1-one is sourced from PubChem (CID 159114596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).