[6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone

C221H223ClF8N44O22 — CID 167664305

IUPAC[6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone
SMILESN#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1.N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1F.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCCCc3cccnc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(C(F)(F)F)nc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4nonc4c3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cn4c(F)cccc4n3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cnc(C(F)(F)F)cc3Cl)ccc2n1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C32H32FN7O3.C32H31FN6O3.C32H32N6O3.C32H36N6O3.C31H30ClF3N6O3.C31H31F3N6O3.C31H31N7O4/c33-29-6-4-7-30-35-22(20-39(29)30)21-43-24-8-9-27-25(18-24)26(31(41)37-13-2-1-3-14-37)19-28(36-27)32(42)38-16-10-23(11-17-38)40-15-5-12-34-40;33-28-17-22(5-6-23(28)20-34)21-42-25-7-8-29-26(18-25)27(31(40)37-12-2-1-3-13-37)19-30(36-29)32(41)38-15-9-24(10-16-38)39-14-4-11-35-39;33-21-23-5-7-24(8-6-23)22-41-26-9-10-29-27(19-26)28(31(39)36-14-2-1-3-15-36)20-30(35-29)32(40)37-17-11-25(12-18-37)38-16-4-13-34-38;39-31(36-15-2-1-3-16-36)28-22-30(32(40)37-18-11-25(12-19-37)38-17-6-14-34-38)35-29-10-9-26(21-27(28)29)41-20-5-8-24-7-4-13-33-23-24;32-25-17-28(31(33,34)35)36-18-20(25)19-44-22-5-6-26-23(15-22)24(29(42)39-10-2-1-3-11-39)16-27(38-26)30(43)40-13-7-21(8-14-40)41-12-4-9-37-41;32-31(33,34)28-8-5-21(19-35-28)20-43-23-6-7-26-24(17-23)25(29(41)38-12-2-1-3-13-38)18-27(37-26)30(42)39-15-9-22(10-16-39)40-14-4-11-36-40;39-30(36-12-2-1-3-13-36)25-19-29(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-8-6-23(18-24(25)26)41-20-21-5-7-27-28(17-21)35-42-34-27/h4-9,12,15,18-20,23H,1-3,10-11,13-14,16-17,21H2;4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,21H2;4-10,13,16,19-20,25H,1-3,11-12,14-15,17-18,22H2;4,6-7,9-10,13-14,17,21-23,25H,1-3,5,8,11-12,15-16,18-20H2;4-6,9,12,15-18,21H,1-3,7-8,10-11,13-14,19H2;4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2;4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2
InChIKeySKFGNKDIFAIOPY-UHFFFAOYSA-N
MW4034.94 g/mol
LogP36.31
Rot. Bonds44

About [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone

[6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone (PubChem CID 167664305) has the molecular formula C221H223ClF8N44O22 and a molecular weight of 4034.94 g/mol. Its IUPAC name is [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone.

Molecular Properties

Compound Name[6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone
PubChem CID167664305
Molecular FormulaC221H223ClF8N44O22
Molecular Weight4034.94 g/mol
Exact Mass4031.72
IUPAC Name[6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone
SMILESN#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1.N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1F.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCCCc3cccnc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(C(F)(F)F)nc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4nonc4c3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cn4c(F)cccc4n3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cnc(C(F)(F)F)cc3Cl)ccc2n1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C32H32FN7O3.C32H31FN6O3.C32H32N6O3.C32H36N6O3.C31H30ClF3N6O3.C31H31F3N6O3.C31H31N7O4/c33-29-6-4-7-30-35-22(20-39(29)30)21-43-24-8-9-27-25(18-24)26(31(41)37-13-2-1-3-14-37)19-28(36-27)32(42)38-16-10-23(11-17-38)40-15-5-12-34-40;33-28-17-22(5-6-23(28)20-34)21-42-25-7-8-29-26(18-25)27(31(40)37-12-2-1-3-13-37)19-30(36-29)32(41)38-15-9-24(10-16-38)39-14-4-11-35-39;33-21-23-5-7-24(8-6-23)22-41-26-9-10-29-27(19-26)28(31(39)36-14-2-1-3-15-36)20-30(35-29)32(40)37-17-11-25(12-18-37)38-16-4-13-34-38;39-31(36-15-2-1-3-16-36)28-22-30(32(40)37-18-11-25(12-19-37)38-17-6-14-34-38)35-29-10-9-26(21-27(28)29)41-20-5-8-24-7-4-13-33-23-24;32-25-17-28(31(33,34)35)36-18-20(25)19-44-22-5-6-26-23(15-22)24(29(42)39-10-2-1-3-11-39)16-27(38-26)30(43)40-13-7-21(8-14-40)41-12-4-9-37-41;32-31(33,34)28-8-5-21(19-35-28)20-43-23-6-7-26-24(17-23)25(29(41)38-12-2-1-3-13-38)18-27(37-26)30(42)39-15-9-22(10-16-39)40-14-4-11-36-40;39-30(36-12-2-1-3-13-36)25-19-29(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-8-6-23(18-24(25)26)41-20-21-5-7-27-28(17-21)35-42-34-27/h4-9,12,15,18-20,23H,1-3,10-11,13-14,16-17,21H2;4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,21H2;4-10,13,16,19-20,25H,1-3,11-12,14-15,17-18,22H2;4,6-7,9-10,13-14,17,21-23,25H,1-3,5,8,11-12,15-16,18-20H2;4-6,9,12,15-18,21H,1-3,7-8,10-11,13-14,19H2;4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2;4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2
InChIKeySKFGNKDIFAIOPY-UHFFFAOYSA-N
XLogP36.31
TPSA706.39 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds44
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004034.94
LogP ≤ 536.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone?
The IUPAC name of [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone (CID 167664305) is [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone.
What is the SMILES notation for [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone?
The canonical SMILES for [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone is N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1.N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1F.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCCCc3cccnc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(C(F)(F)F)nc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4nonc4c3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cn4c(F)cccc4n3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cnc(C(F)(F)F)cc3Cl)ccc2n1)N1CCC(n2cccn2)CC1.
What is the InChIKey of [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone?
The InChIKey is SKFGNKDIFAIOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O3.C32H31FN6O3.C32H32N6O3.C32H36N6O3.C31H30ClF3N6O3.C31H31F3N6O3.C31H31N7O4/c33-29-6-4-7-30-35-22(20-39(29)30)21-43-24-8-9-27-25(18-24)26(31(41)37-13-2-1-3-14-37)19-28(36-27)32(42)38-16-10-23(11-17-38)40-15-5-12-34-40;33-28-17-22(5-6-23(28)20-34)21-42-25-7-8-29-26(18-25)27(31(40)37-12-2-1-3-13-37)19-30(36-29)32(41)38-15-9-24(10-16-38)39-14-4-11-35-39;33-21-23-5-7-24(8-6-23)22-41-26-9-10-29-27(19-26)28(31(39)36-14-2-1-3-15-36)20-30(35-29)32(40)37-17-11-25(12-18-37)38-16-4-13-34-38;39-31(36-15-2-1-3-16-36)28-22-30(32(40)37-18-11-25(12-19-37)38-17-6-14-34-38)35-29-10-9-26(21-27(28)29)41-20-5-8-24-7-4-13-33-23-24;32-25-17-28(31(33,34)35)36-18-20(25)19-44-22-5-6-26-23(15-22)24(29(42)39-10-2-1-3-11-39)16-27(38-26)30(43)40-13-7-21(8-14-40)41-12-4-9-37-41;32-31(33,34)28-8-5-21(19-35-28)20-43-23-6-7-26-24(17-23)25(29(41)38-12-2-1-3-13-38)18-27(37-26)30(42)39-15-9-22(10-16-39)40-14-4-11-36-40;39-30(36-12-2-1-3-13-36)25-19-29(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-8-6-23(18-24(25)26)41-20-21-5-7-27-28(17-21)35-42-34-27/h4-9,12,15,18-20,23H,1-3,10-11,13-14,16-17,21H2;4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,21H2;4-10,13,16,19-20,25H,1-3,11-12,14-15,17-18,22H2;4,6-7,9-10,13-14,17,21-23,25H,1-3,5,8,11-12,15-16,18-20H2;4-6,9,12,15-18,21H,1-3,7-8,10-11,13-14,19H2;4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2;4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2.
What are the key properties of [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone?
[6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone has a molecular weight of 4034.94 g/mol, XLogP of 36.31, 44 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,1,3-benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone is sourced from PubChem (CID 167664305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).