N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide

C170H192F10N30O17 — CID 160654182

IUPACN-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
SMILESCOc1cc(CC(=O)N(CC(=O)N2CCC(N)CC2)c2nccc(-c3ccccc3)n2)ccc1O.Cc1cccc(CCC(=O)N(CC(=O)N2CCN(N)CC2)c2cnc(-c3ccccc3)cn2)c1C.Cc1ccccc1-c1cnccc1N(CC(=O)N1CCCC(N)C1)C(=O)CCc1ccc(O)c(C(F)(F)F)c1.NC1CCCCN(C(=O)CN(C(=O)CCCc2cccc(C(F)(F)F)c2F)c2ccc(OCc3ccccc3)cn2)C1.NC1CCCCN(C(=O)CN(CC(=O)NCCc2ccccc2)c2ccc(OCc3ccccc3)cn2)C1.NC1CN(C(=O)CN(C(=O)CCCc2cccc(NCC(F)(F)F)c2)c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C31H34F4N4O3.C30H37N5O3.C29H31F3N4O3.C27H29F3N6O2.C27H32N6O2.C26H29N5O4/c32-30-23(10-6-13-26(30)31(33,34)35)11-7-14-28(40)39(20-29(41)38-17-5-4-12-24(36)19-38)27-16-15-25(18-37-27)42-21-22-8-2-1-3-9-22;31-26-13-7-8-18-34(20-26)30(37)22-35(21-29(36)32-17-16-24-9-3-1-4-10-24)28-15-14-27(19-33-28)38-23-25-11-5-2-6-12-25;1-19-5-2-3-7-22(19)23-16-34-13-12-25(23)36(18-28(39)35-14-4-6-21(33)17-35)27(38)11-9-20-8-10-26(37)24(15-20)29(30,31)32;28-27(29,30)18-32-22-10-4-6-19(14-22)7-5-11-25(37)36(17-26(38)35-15-21(31)16-35)24-13-12-23(33-34-24)20-8-2-1-3-9-20;1-20-7-6-10-22(21(20)2)11-12-26(34)33(19-27(35)31-13-15-32(28)16-14-31)25-18-29-24(17-30-25)23-8-4-3-5-9-23;1-35-23-15-18(7-8-22(23)32)16-24(33)31(17-25(34)30-13-10-20(27)11-14-30)26-28-12-9-21(29-26)19-5-3-2-4-6-19/h1-3,6,8-10,13,15-16,18,24H,4-5,7,11-12,14,17,19-21,36H2;1-6,9-12,14-15,19,26H,7-8,13,16-18,20-23,31H2,(H,32,36);2-3,5,7-8,10,12-13,15-16,21,37H,4,6,9,11,14,17-18,33H2,1H3;1-4,6,8-10,12-14,21,32H,5,7,11,15-18,31H2;3-10,17-18H,11-16,19,28H2,1-2H3;2-9,12,15,20,32H,10-11,13-14,16-17,27H2,1H3
InChIKeyRKVCSCFSOOZYHX-UHFFFAOYSA-N
MW3117.58 g/mol
LogP22.15
Rot. Bonds52

About N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide

N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide (PubChem CID 160654182) has the molecular formula C170H192F10N30O17 and a molecular weight of 3117.58 g/mol. Its IUPAC name is N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
PubChem CID160654182
Molecular FormulaC170H192F10N30O17
Molecular Weight3117.58 g/mol
Exact Mass3115.49
IUPAC NameN-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
SMILESCOc1cc(CC(=O)N(CC(=O)N2CCC(N)CC2)c2nccc(-c3ccccc3)n2)ccc1O.Cc1cccc(CCC(=O)N(CC(=O)N2CCN(N)CC2)c2cnc(-c3ccccc3)cn2)c1C.Cc1ccccc1-c1cnccc1N(CC(=O)N1CCCC(N)C1)C(=O)CCc1ccc(O)c(C(F)(F)F)c1.NC1CCCCN(C(=O)CN(C(=O)CCCc2cccc(C(F)(F)F)c2F)c2ccc(OCc3ccccc3)cn2)C1.NC1CCCCN(C(=O)CN(CC(=O)NCCc2ccccc2)c2ccc(OCc3ccccc3)cn2)C1.NC1CN(C(=O)CN(C(=O)CCCc2cccc(NCC(F)(F)F)c2)c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C31H34F4N4O3.C30H37N5O3.C29H31F3N4O3.C27H29F3N6O2.C27H32N6O2.C26H29N5O4/c32-30-23(10-6-13-26(30)31(33,34)35)11-7-14-28(40)39(20-29(41)38-17-5-4-12-24(36)19-38)27-16-15-25(18-37-27)42-21-22-8-2-1-3-9-22;31-26-13-7-8-18-34(20-26)30(37)22-35(21-29(36)32-17-16-24-9-3-1-4-10-24)28-15-14-27(19-33-28)38-23-25-11-5-2-6-12-25;1-19-5-2-3-7-22(19)23-16-34-13-12-25(23)36(18-28(39)35-14-4-6-21(33)17-35)27(38)11-9-20-8-10-26(37)24(15-20)29(30,31)32;28-27(29,30)18-32-22-10-4-6-19(14-22)7-5-11-25(37)36(17-26(38)35-15-21(31)16-35)24-13-12-23(33-34-24)20-8-2-1-3-9-20;1-20-7-6-10-22(21(20)2)11-12-26(34)33(19-27(35)31-13-15-32(28)16-14-31)25-18-29-24(17-30-25)23-8-4-3-5-9-23;1-35-23-15-18(7-8-22(23)32)16-24(33)31(17-25(34)30-13-10-20(27)11-14-30)26-28-12-9-21(29-26)19-5-3-2-4-6-19/h1-3,6,8-10,13,15-16,18,24H,4-5,7,11-12,14,17,19-21,36H2;1-6,9-12,14-15,19,26H,7-8,13,16-18,20-23,31H2,(H,32,36);2-3,5,7-8,10,12-13,15-16,21,37H,4,6,9,11,14,17-18,33H2,1H3;1-4,6,8-10,12-14,21,32H,5,7,11,15-18,31H2;3-10,17-18H,11-16,19,28H2,1-2H3;2-9,12,15,20,32H,10-11,13-14,16-17,27H2,1H3
InChIKeyRKVCSCFSOOZYHX-UHFFFAOYSA-N
XLogP22.15
TPSA611.30 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003117.58
LogP ≤ 522.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;(Z)-N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)prop-2-enamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
CID 158520706
N-[2-(4-aminoazepan-1-yl)-2-oxoethyl]-4-chloro-3-hydroxy-N-(2-phenylpyrimidin-4-yl)benzamide;N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
CID 160824329

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
The IUPAC name of N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide (CID 160654182) is N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide.
What is the SMILES notation for N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
The canonical SMILES for N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide is COc1cc(CC(=O)N(CC(=O)N2CCC(N)CC2)c2nccc(-c3ccccc3)n2)ccc1O.Cc1cccc(CCC(=O)N(CC(=O)N2CCN(N)CC2)c2cnc(-c3ccccc3)cn2)c1C.Cc1ccccc1-c1cnccc1N(CC(=O)N1CCCC(N)C1)C(=O)CCc1ccc(O)c(C(F)(F)F)c1.NC1CCCCN(C(=O)CN(C(=O)CCCc2cccc(C(F)(F)F)c2F)c2ccc(OCc3ccccc3)cn2)C1.NC1CCCCN(C(=O)CN(CC(=O)NCCc2ccccc2)c2ccc(OCc3ccccc3)cn2)C1.NC1CN(C(=O)CN(C(=O)CCCc2cccc(NCC(F)(F)F)c2)c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
The InChIKey is RKVCSCFSOOZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F4N4O3.C30H37N5O3.C29H31F3N4O3.C27H29F3N6O2.C27H32N6O2.C26H29N5O4/c32-30-23(10-6-13-26(30)31(33,34)35)11-7-14-28(40)39(20-29(41)38-17-5-4-12-24(36)19-38)27-16-15-25(18-37-27)42-21-22-8-2-1-3-9-22;31-26-13-7-8-18-34(20-26)30(37)22-35(21-29(36)32-17-16-24-9-3-1-4-10-24)28-15-14-27(19-33-28)38-23-25-11-5-2-6-12-25;1-19-5-2-3-7-22(19)23-16-34-13-12-25(23)36(18-28(39)35-14-4-6-21(33)17-35)27(38)11-9-20-8-10-26(37)24(15-20)29(30,31)32;28-27(29,30)18-32-22-10-4-6-19(14-22)7-5-11-25(37)36(17-26(38)35-15-21(31)16-35)24-13-12-23(33-34-24)20-8-2-1-3-9-20;1-20-7-6-10-22(21(20)2)11-12-26(34)33(19-27(35)31-13-15-32(28)16-14-31)25-18-29-24(17-30-25)23-8-4-3-5-9-23;1-35-23-15-18(7-8-22(23)32)16-24(33)31(17-25(34)30-13-10-20(27)11-14-30)26-28-12-9-21(29-26)19-5-3-2-4-6-19/h1-3,6,8-10,13,15-16,18,24H,4-5,7,11-12,14,17,19-21,36H2;1-6,9-12,14-15,19,26H,7-8,13,16-18,20-23,31H2,(H,32,36);2-3,5,7-8,10,12-13,15-16,21,37H,4,6,9,11,14,17-18,33H2,1H3;1-4,6,8-10,12-14,21,32H,5,7,11,15-18,31H2;3-10,17-18H,11-16,19,28H2,1-2H3;2-9,12,15,20,32H,10-11,13-14,16-17,27H2,1H3.
What are the key properties of N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide has a molecular weight of 3117.58 g/mol, XLogP of 22.15, 52 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoazepan-1-yl)-2-oxoethyl]-4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(5-phenylmethoxy-2-pyridinyl)butanamide;2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-(2-phenylethyl)acetamide;N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-N-(6-phenylpyridazin-3-yl)-4-[3-(2,2,2-trifluoroethylamino)phenyl]butanamide;N-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-3-(2,3-dimethylphenyl)-N-(5-phenylpyrazin-2-yl)propanamide;N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-(4-phenylpyrimidin-2-yl)acetamide;N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide is sourced from PubChem (CID 160654182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).