5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C129H124F18N18O7 — CID 157236811

IUPAC5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.O=C(C1=Cc2ncccc2C1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H25F3N4O2.4C21H20F3N3O.C21H19F3N2O/c25-24(26,27)19-4-2-1-3-18(19)16-5-7-31(8-6-16)23(32)22-14-20-21(29-22)13-17(15-28-20)30-9-11-33-12-10-30;4*1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;22-21(23,24)18-6-2-1-5-17(18)14-7-10-26(11-8-14)20(27)16-12-15-4-3-9-25-19(15)13-16/h1-4,13-16,29H,5-12H2;4*2-7,12,14,26H,8-11H2,1H3;1-6,9,13-14H,7-8,10-12H2
InChIKeyAUSPYODXNOVTBM-UHFFFAOYSA-N
MW2380.49 g/mol
LogP28.52
Rot. Bonds13

About 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 157236811) has the molecular formula C129H124F18N18O7 and a molecular weight of 2380.49 g/mol. Its IUPAC name is 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID157236811
Molecular FormulaC129H124F18N18O7
Molecular Weight2380.49 g/mol
Exact Mass2378.96
IUPAC Name5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.O=C(C1=Cc2ncccc2C1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H25F3N4O2.4C21H20F3N3O.C21H19F3N2O/c25-24(26,27)19-4-2-1-3-18(19)16-5-7-31(8-6-16)23(32)22-14-20-21(29-22)13-17(15-28-20)30-9-11-33-12-10-30;4*1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;22-21(23,24)18-6-2-1-5-17(18)14-7-10-26(11-8-14)20(27)16-12-15-4-3-9-25-19(15)13-16/h1-4,13-16,29H,5-12H2;4*2-7,12,14,26H,8-11H2,1H3;1-6,9,13-14H,7-8,10-12H2
InChIKeyAUSPYODXNOVTBM-UHFFFAOYSA-N
XLogP28.52
TPSA290.62 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002380.49
LogP ≤ 528.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

4-(1H-indol-2-yl)-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 44351216
N-[2-[2-[2-[[2-(1,4,7-triazonan-1-yl)acetyl]amino]ethoxy]ethoxy]ethyl]-4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin-5-yl]benzamide
CID 168279536
5,7-bis(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxamide
CID 11534100
(6-morpholino-1H-pyrrolo[3,2-b]pyridin-2-yl)(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 118872303
1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)-4-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]morpholin-2-yl]phenyl]piperidin-1-yl]methanone
CID 137456367
2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 157131904
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157147381
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157157559
5-(5-amino-3-pyridinyl)-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157165576
(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
CID 157181828
(7S)-N-(1,4-dioxan-2-ylmethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrazol-3-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-3-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157246629
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418

Frequently Asked Questions

What is the IUPAC name of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 157236811) is 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.O=C(C1=Cc2ncccc2C1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is AUSPYODXNOVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2.4C21H20F3N3O.C21H19F3N2O/c25-24(26,27)19-4-2-1-3-18(19)16-5-7-31(8-6-16)23(32)22-14-20-21(29-22)13-17(15-28-20)30-9-11-33-12-10-30;4*1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;22-21(23,24)18-6-2-1-5-17(18)14-7-10-26(11-8-14)20(27)16-12-15-4-3-9-25-19(15)13-16/h1-4,13-16,29H,5-12H2;4*2-7,12,14,26H,8-11H2,1H3;1-6,9,13-14H,7-8,10-12H2.
What are the key properties of 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 2380.49 g/mol, XLogP of 28.52, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 157236811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).