N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C185H190F8N24O18 — CID 158905066

IUPACN-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCC(C)(O)c1nnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NC1Cc2ccccc2CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NC1Oc2ccccc2CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCc1cccc2cccnc12)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(Nc1cncc(-c2ccccc2)c1)c1ccc2c(c1)CCC1(CCNC1=O)C2
InChIInChI=1S/C32H30F2N6O3.C27H33N3O2.C26H26F3N3O3.C26H31N3O2.C25H24F3N3O4.C25H23N3O2.C24H23N3O2/c1-31(2,43)29-39-38-27-24(11-10-19(16-40(27)29)21-5-3-7-23(33)25(21)34)36-28(41)17-8-9-18-14-32(15-20(18)13-17)22-6-4-12-35-26(22)37-30(32)42;31-25(28-14-17-30-15-9-21(10-16-30)20-4-2-1-3-5-20)23-6-7-24-19-27(11-8-22(24)18-23)12-13-29-26(27)32;27-26(28,29)15-32-14-20-4-2-1-3-16(20)12-21(23(32)34)31-22(33)18-5-6-19-13-25(8-7-17(19)11-18)9-10-30-24(25)35;30-24(28-23-9-14-29(15-10-23)18-19-4-2-1-3-5-19)21-6-7-22-17-26(11-8-20(22)16-21)12-13-27-25(26)31;26-25(27,28)14-31-13-18-3-1-2-4-19(18)35-21(22(31)33)30-20(32)16-5-6-17-12-24(8-7-15(17)11-16)9-10-29-23(24)34;29-23(28-22-13-21(15-26-16-22)17-4-2-1-3-5-17)19-6-7-20-14-25(9-8-18(20)12-19)10-11-27-24(25)30;28-22(27-15-20-4-1-3-16-5-2-11-25-21(16)20)18-6-7-19-14-24(9-8-17(19)13-18)10-12-26-23(24)29/h3-9,12-13,19,24,43H,10-11,14-16H2,1-2H3,(H,36,41)(H,35,37,42);1-7,18,21H,8-17,19H2,(H,28,31)(H,29,32);1-6,11,21H,7-10,12-15H2,(H,30,35)(H,31,33);1-7,16,23H,8-15,17-18H2,(H,27,31)(H,28,30);1-6,11,21H,7-10,12-14H2,(H,29,34)(H,30,32);1-7,12-13,15-16H,8-11,14H2,(H,27,30)(H,28,29);1-7,11,13H,8-10,12,14-15H2,(H,26,29)(H,27,28)/t19-,24-,32?;;;;;;/m1....../s1
InChIKeyJFYCMLRAPGTHJF-DCKHRXETSA-N
MW3189.69 g/mol
LogP23.39
Rot. Bonds25

About N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 158905066) has the molecular formula C185H190F8N24O18 and a molecular weight of 3189.69 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID158905066
Molecular FormulaC185H190F8N24O18
Molecular Weight3189.69 g/mol
Exact Mass3187.46
IUPAC NameN-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCC(C)(O)c1nnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NC1Cc2ccccc2CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NC1Oc2ccccc2CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCc1cccc2cccnc12)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(Nc1cncc(-c2ccccc2)c1)c1ccc2c(c1)CCC1(CCNC1=O)C2
InChIInChI=1S/C32H30F2N6O3.C27H33N3O2.C26H26F3N3O3.C26H31N3O2.C25H24F3N3O4.C25H23N3O2.C24H23N3O2/c1-31(2,43)29-39-38-27-24(11-10-19(16-40(27)29)21-5-3-7-23(33)25(21)34)36-28(41)17-8-9-18-14-32(15-20(18)13-17)22-6-4-12-35-26(22)37-30(32)42;31-25(28-14-17-30-15-9-21(10-16-30)20-4-2-1-3-5-20)23-6-7-24-19-27(11-8-22(24)18-23)12-13-29-26(27)32;27-26(28,29)15-32-14-20-4-2-1-3-16(20)12-21(23(32)34)31-22(33)18-5-6-19-13-25(8-7-17(19)11-18)9-10-30-24(25)35;30-24(28-23-9-14-29(15-10-23)18-19-4-2-1-3-5-19)21-6-7-22-17-26(11-8-20(22)16-21)12-13-27-25(26)31;26-25(27,28)14-31-13-18-3-1-2-4-19(18)35-21(22(31)33)30-20(32)16-5-6-17-12-24(8-7-15(17)11-16)9-10-29-23(24)34;29-23(28-22-13-21(15-26-16-22)17-4-2-1-3-5-17)19-6-7-20-14-25(9-8-18(20)12-19)10-11-27-24(25)30;28-22(27-15-20-4-1-3-16-5-2-11-25-21(16)20)18-6-7-19-14-24(9-8-17(19)13-18)10-12-26-23(24)29/h3-9,12-13,19,24,43H,10-11,14-16H2,1-2H3,(H,36,41)(H,35,37,42);1-7,18,21H,8-17,19H2,(H,28,31)(H,29,32);1-6,11,21H,7-10,12-15H2,(H,30,35)(H,31,33);1-7,16,23H,8-15,17-18H2,(H,27,31)(H,28,30);1-6,11,21H,7-10,12-14H2,(H,29,34)(H,30,32);1-7,12-13,15-16H,8-11,14H2,(H,27,30)(H,28,29);1-7,11,13H,8-10,12,14-15H2,(H,26,29)(H,27,28)/t19-,24-,32?;;;;;;/m1....../s1
InChIKeyJFYCMLRAPGTHJF-DCKHRXETSA-N
XLogP23.39
TPSA553.34 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003189.69
LogP ≤ 523.39
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 158905066) is N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is CC(C)(O)c1nnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NC1Cc2ccccc2CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NC1Oc2ccccc2CN(CC(F)(F)F)C1=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NCc1cccc2cccnc12)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(Nc1cncc(-c2ccccc2)c1)c1ccc2c(c1)CCC1(CCNC1=O)C2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is JFYCMLRAPGTHJF-DCKHRXETSA-N. The full InChI is InChI=1S/C32H30F2N6O3.C27H33N3O2.C26H26F3N3O3.C26H31N3O2.C25H24F3N3O4.C25H23N3O2.C24H23N3O2/c1-31(2,43)29-39-38-27-24(11-10-19(16-40(27)29)21-5-3-7-23(33)25(21)34)36-28(41)17-8-9-18-14-32(15-20(18)13-17)22-6-4-12-35-26(22)37-30(32)42;31-25(28-14-17-30-15-9-21(10-16-30)20-4-2-1-3-5-20)23-6-7-24-19-27(11-8-22(24)18-23)12-13-29-26(27)32;27-26(28,29)15-32-14-20-4-2-1-3-16(20)12-21(23(32)34)31-22(33)18-5-6-19-13-25(8-7-17(19)11-18)9-10-30-24(25)35;30-24(28-23-9-14-29(15-10-23)18-19-4-2-1-3-5-19)21-6-7-22-17-26(11-8-20(22)16-21)12-13-27-25(26)31;26-25(27,28)14-31-13-18-3-1-2-4-19(18)35-21(22(31)33)30-20(32)16-5-6-17-12-24(8-7-15(17)11-16)9-10-29-23(24)34;29-23(28-22-13-21(15-26-16-22)17-4-2-1-3-5-17)19-6-7-20-14-25(9-8-18(20)12-19)10-11-27-24(25)30;28-22(27-15-20-4-1-3-16-5-2-11-25-21(16)20)18-6-7-19-14-24(9-8-17(19)13-18)10-12-26-23(24)29/h3-9,12-13,19,24,43H,10-11,14-16H2,1-2H3,(H,36,41)(H,35,37,42);1-7,18,21H,8-17,19H2,(H,28,31)(H,29,32);1-6,11,21H,7-10,12-15H2,(H,30,35)(H,31,33);1-7,16,23H,8-15,17-18H2,(H,27,31)(H,28,30);1-6,11,21H,7-10,12-14H2,(H,29,34)(H,30,32);1-7,12-13,15-16H,8-11,14H2,(H,27,30)(H,28,29);1-7,11,13H,8-10,12,14-15H2,(H,26,29)(H,27,28)/t19-,24-,32?;;;;;;/m1....../s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 3189.69 g/mol, XLogP of 23.39, 25 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide;2'-oxo-N-[3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepin-2-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(5-phenyl-3-pyridinyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;2'-oxo-N-(quinolin-8-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 158905066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).