4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

C129H181F12N27O8 — CID 159716590

IUPAC4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
SMILESCC(C)CCNC(=O)[C@H]1CC[C@@H](Cc2nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2C(F)(F)F)C1.CN(C)CCCCNC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F.CN1CCC(CNC(=O)[C@H]2CCC[C@H]2Cc2nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2C(F)(F)F)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(C(F)(F)F)c(C[C@@H]4CCC[C@@H]4C(=O)NCCCN4CCCC4)n3)cc2)CC1
InChIInChI=1S/2C33H46F3N7O2.C32H46F3N7O2.C31H43F3N6O2/c1-41-15-11-22(12-16-41)20-37-30(44)27-6-4-5-24(27)19-29-28(33(34,35)36)21-38-32(40-29)39-25-9-7-23(8-10-25)31(45)43(3)26-13-17-42(2)18-14-26;1-41-19-13-26(14-20-41)42(2)31(45)23-9-11-25(12-10-23)39-32-38-22-28(33(34,35)36)29(40-32)21-24-7-5-8-27(24)30(44)37-15-6-18-43-16-3-4-17-43;1-40(2)17-6-5-16-36-29(43)26-9-7-8-23(26)20-28-27(32(33,34)35)21-37-31(39-28)38-24-12-10-22(11-13-24)30(44)42(4)25-14-18-41(3)19-15-25;1-20(2)11-14-35-28(41)23-6-5-21(17-23)18-27-26(31(32,33)34)19-36-30(38-27)37-24-9-7-22(8-10-24)29(42)40(4)25-12-15-39(3)16-13-25/h7-10,21-22,24,26-27H,4-6,11-20H2,1-3H3,(H,37,44)(H,38,39,40);9-12,22,24,26-27H,3-8,13-21H2,1-2H3,(H,37,44)(H,38,39,40);10-13,21,23,25-26H,5-9,14-20H2,1-4H3,(H,36,43)(H,37,38,39);7-10,19-21,23,25H,5-6,11-18H2,1-4H3,(H,35,41)(H,36,37,38)/t2*24-,27-;23-,26-;21-,23+/m0001/s1
InChIKeyMZMYSHLPMKZVFR-VDUNSVOOSA-N
MW2466.02 g/mol
LogP20.14
Rot. Bonds42

About 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 159716590) has the molecular formula C129H181F12N27O8 and a molecular weight of 2466.02 g/mol. Its IUPAC name is 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
PubChem CID159716590
Molecular FormulaC129H181F12N27O8
Molecular Weight2466.02 g/mol
Exact Mass2464.44
IUPAC Name4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
SMILESCC(C)CCNC(=O)[C@H]1CC[C@@H](Cc2nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2C(F)(F)F)C1.CN(C)CCCCNC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F.CN1CCC(CNC(=O)[C@H]2CCC[C@H]2Cc2nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2C(F)(F)F)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(C(F)(F)F)c(C[C@@H]4CCC[C@@H]4C(=O)NCCCN4CCCC4)n3)cc2)CC1
InChIInChI=1S/2C33H46F3N7O2.C32H46F3N7O2.C31H43F3N6O2/c1-41-15-11-22(12-16-41)20-37-30(44)27-6-4-5-24(27)19-29-28(33(34,35)36)21-38-32(40-29)39-25-9-7-23(8-10-25)31(45)43(3)26-13-17-42(2)18-14-26;1-41-19-13-26(14-20-41)42(2)31(45)23-9-11-25(12-10-23)39-32-38-22-28(33(34,35)36)29(40-32)21-24-7-5-8-27(24)30(44)37-15-6-18-43-16-3-4-17-43;1-40(2)17-6-5-16-36-29(43)26-9-7-8-23(26)20-28-27(32(33,34)35)21-37-31(39-28)38-24-12-10-22(11-13-24)30(44)42(4)25-14-18-41(3)19-15-25;1-20(2)11-14-35-28(41)23-6-5-21(17-23)18-27-26(31(32,33)34)19-36-30(38-27)37-24-9-7-22(8-10-24)29(42)40(4)25-12-15-39(3)16-13-25/h7-10,21-22,24,26-27H,4-6,11-20H2,1-3H3,(H,37,44)(H,38,39,40);9-12,22,24,26-27H,3-8,13-21H2,1-2H3,(H,37,44)(H,38,39,40);10-13,21,23,25-26H,5-9,14-20H2,1-4H3,(H,36,43)(H,37,38,39);7-10,19-21,23,25H,5-6,11-18H2,1-4H3,(H,35,41)(H,36,37,38)/t2*24-,27-;23-,26-;21-,23+/m0001/s1
InChIKeyMZMYSHLPMKZVFR-VDUNSVOOSA-N
XLogP20.14
TPSA371.56 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.02
LogP ≤ 520.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(pyrrolidine-1-carbonyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58464564
trans-(1S,2S)-2-[[2-[4-(4-cyclopentylpiperazine-1-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464577
4-[[4-[[(1S,2S)-2-(2-cyclopentylacetyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 58464585
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58464600
trans-(1S,2S)-2-[[2-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464603
trans-(1S,2S)-N-propan-2-yl-2-[[2-[4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464636
trans-(1S,2S)-2-[[2-[4-[4-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carbonyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464650
trans-(1S,2S)-2-[[2-[4-(2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464672
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58464690
N-methyl-4-[[4-[[(1S,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 58464706
trans-(1S,2S)-2-[[2-[4-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464710
N-(1-ethylpiperidin-4-yl)-N-methyl-4-[[4-[[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 87130249

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (CID 159716590) is 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is CC(C)CCNC(=O)[C@H]1CC[C@@H](Cc2nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2C(F)(F)F)C1.CN(C)CCCCNC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F.CN1CCC(CNC(=O)[C@H]2CCC[C@H]2Cc2nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2C(F)(F)F)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3ncc(C(F)(F)F)c(C[C@@H]4CCC[C@@H]4C(=O)NCCCN4CCCC4)n3)cc2)CC1.
What is the InChIKey of 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is MZMYSHLPMKZVFR-VDUNSVOOSA-N. The full InChI is InChI=1S/2C33H46F3N7O2.C32H46F3N7O2.C31H43F3N6O2/c1-41-15-11-22(12-16-41)20-37-30(44)27-6-4-5-24(27)19-29-28(33(34,35)36)21-38-32(40-29)39-25-9-7-23(8-10-25)31(45)43(3)26-13-17-42(2)18-14-26;1-41-19-13-26(14-20-41)42(2)31(45)23-9-11-25(12-10-23)39-32-38-22-28(33(34,35)36)29(40-32)21-24-7-5-8-27(24)30(44)37-15-6-18-43-16-3-4-17-43;1-40(2)17-6-5-16-36-29(43)26-9-7-8-23(26)20-28-27(32(33,34)35)21-37-31(39-28)38-24-12-10-22(11-13-24)30(44)42(4)25-14-18-41(3)19-15-25;1-20(2)11-14-35-28(41)23-6-5-21(17-23)18-27-26(31(32,33)34)19-36-30(38-27)37-24-9-7-22(8-10-24)29(42)40(4)25-12-15-39(3)16-13-25/h7-10,21-22,24,26-27H,4-6,11-20H2,1-3H3,(H,37,44)(H,38,39,40);9-12,22,24,26-27H,3-8,13-21H2,1-2H3,(H,37,44)(H,38,39,40);10-13,21,23,25-26H,5-9,14-20H2,1-4H3,(H,36,43)(H,37,38,39);7-10,19-21,23,25H,5-6,11-18H2,1-4H3,(H,35,41)(H,36,37,38)/t2*24-,27-;23-,26-;21-,23+/m0001/s1.
What are the key properties of 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 2466.02 g/mol, XLogP of 20.14, 42 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(1S,2S)-2-[4-(dimethylamino)butylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1R,3S)-3-(3-methylbutylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 159716590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).