4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde

C211H258F28N30O21 — CID 167665804

IUPAC4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde
SMILESCC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)O.CC(C)(C)c1ccc(N(C(=O)[C@H]2[C@H](F)CCN2C#N)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)(C)c1ccc(N(C(=O)[C@H]2[C@H](F)CCN2C#N)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)c1ccc(N(C(=O)[C@@H]2NCC[C@H]2F)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)c1ccc(N(C(=O)[C@@H]2NCC[C@H]2F)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/2C33H42F4N4O4.2C29H33F4N5O2.2C27H32F4N4O2.C10H16FNO4.C10H15N.C7H9F2N.C6H4FNO/c2*1-31(2,3)21-7-9-24(10-8-21)41(29(43)27-25(35)13-16-40(27)30(44)45-32(4,5)6)26(20-17-22(34)19-38-18-20)28(42)39-23-11-14-33(36,37)15-12-23;2*1-28(2,3)19-4-6-22(7-5-19)38(27(40)25-23(31)10-13-37(25)17-34)24(18-14-20(30)16-35-15-18)26(39)36-21-8-11-29(32,33)12-9-21;2*1-16(2)17-3-5-21(6-4-17)35(26(37)23-22(29)9-12-33-23)24(18-13-19(28)15-32-14-18)25(36)34-20-7-10-27(30,31)11-8-20;1-10(2,3)16-9(15)12-5-4-6(11)7(12)8(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-10-6-2-4-7(8,9)5-3-6;7-6-1-5(4-9)2-8-3-6/h2*7-10,17-19,23,25-27H,11-16H2,1-6H3,(H,39,42);2*4-7,14-16,21,23-25H,8-13H2,1-3H3,(H,36,39);2*3-6,13-16,20,22-24,33H,7-12H2,1-2H3,(H,34,36);6-7H,4-5H2,1-3H3,(H,13,14);4-7H,11H2,1-3H3;6H,2-5H2;1-4H/t2*25-,26?,27-;2*23-,24?,25-;2*22-,23-,24?;6-,7-;;;/m1111111.../s1
InChIKeySPVMTCGABWFQDR-OXMSUXBOSA-N
MW4082.52 g/mol
LogP40.75
Rot. Bonds40

About 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde

4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde (PubChem CID 167665804) has the molecular formula C211H258F28N30O21 and a molecular weight of 4082.52 g/mol. Its IUPAC name is 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde
PubChem CID167665804
Molecular FormulaC211H258F28N30O21
Molecular Weight4082.52 g/mol
Exact Mass4079.96
IUPAC Name4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde
SMILESCC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)O.CC(C)(C)c1ccc(N(C(=O)[C@H]2[C@H](F)CCN2C#N)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)(C)c1ccc(N(C(=O)[C@H]2[C@H](F)CCN2C#N)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)c1ccc(N(C(=O)[C@@H]2NCC[C@H]2F)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)c1ccc(N(C(=O)[C@@H]2NCC[C@H]2F)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/2C33H42F4N4O4.2C29H33F4N5O2.2C27H32F4N4O2.C10H16FNO4.C10H15N.C7H9F2N.C6H4FNO/c2*1-31(2,3)21-7-9-24(10-8-21)41(29(43)27-25(35)13-16-40(27)30(44)45-32(4,5)6)26(20-17-22(34)19-38-18-20)28(42)39-23-11-14-33(36,37)15-12-23;2*1-28(2,3)19-4-6-22(7-5-19)38(27(40)25-23(31)10-13-37(25)17-34)24(18-14-20(30)16-35-15-18)26(39)36-21-8-11-29(32,33)12-9-21;2*1-16(2)17-3-5-21(6-4-17)35(26(37)23-22(29)9-12-33-23)24(18-13-19(28)15-32-14-18)25(36)34-20-7-10-27(30,31)11-8-20;1-10(2,3)16-9(15)12-5-4-6(11)7(12)8(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-10-6-2-4-7(8,9)5-3-6;7-6-1-5(4-9)2-8-3-6/h2*7-10,17-19,23,25-27H,11-16H2,1-6H3,(H,39,42);2*4-7,14-16,21,23-25H,8-13H2,1-3H3,(H,36,39);2*3-6,13-16,20,22-24,33H,7-12H2,1-2H3,(H,34,36);6-7H,4-5H2,1-3H3,(H,13,14);4-7H,11H2,1-3H3;6H,2-5H2;1-4H/t2*25-,26?,27-;2*23-,24?,25-;2*22-,23-,24?;6-,7-;;;/m1111111.../s1
InChIKeySPVMTCGABWFQDR-OXMSUXBOSA-N
XLogP40.75
TPSA638.18 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds40
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004082.52
LogP ≤ 540.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde?
The IUPAC name of 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde (CID 167665804) is 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde is CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]1C(=O)O.CC(C)(C)c1ccc(N(C(=O)[C@H]2[C@H](F)CCN2C#N)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)(C)c1ccc(N(C(=O)[C@H]2[C@H](F)CCN2C#N)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)c1ccc(N(C(=O)[C@@H]2NCC[C@H]2F)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.CC(C)c1ccc(N(C(=O)[C@@H]2NCC[C@H]2F)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1.
What is the InChIKey of 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde?
The InChIKey is SPVMTCGABWFQDR-OXMSUXBOSA-N. The full InChI is InChI=1S/2C33H42F4N4O4.2C29H33F4N5O2.2C27H32F4N4O2.C10H16FNO4.C10H15N.C7H9F2N.C6H4FNO/c2*1-31(2,3)21-7-9-24(10-8-21)41(29(43)27-25(35)13-16-40(27)30(44)45-32(4,5)6)26(20-17-22(34)19-38-18-20)28(42)39-23-11-14-33(36,37)15-12-23;2*1-28(2,3)19-4-6-22(7-5-19)38(27(40)25-23(31)10-13-37(25)17-34)24(18-14-20(30)16-35-15-18)26(39)36-21-8-11-29(32,33)12-9-21;2*1-16(2)17-3-5-21(6-4-17)35(26(37)23-22(29)9-12-33-23)24(18-13-19(28)15-32-14-18)25(36)34-20-7-10-27(30,31)11-8-20;1-10(2,3)16-9(15)12-5-4-6(11)7(12)8(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-10-6-2-4-7(8,9)5-3-6;7-6-1-5(4-9)2-8-3-6/h2*7-10,17-19,23,25-27H,11-16H2,1-6H3,(H,39,42);2*4-7,14-16,21,23-25H,8-13H2,1-3H3,(H,36,39);2*3-6,13-16,20,22-24,33H,7-12H2,1-2H3,(H,34,36);6-7H,4-5H2,1-3H3,(H,13,14);4-7H,11H2,1-3H3;6H,2-5H2;1-4H/t2*25-,26?,27-;2*23-,24?,25-;2*22-,23-,24?;6-,7-;;;/m1111111.../s1.
What are the key properties of 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde?
4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde has a molecular weight of 4082.52 g/mol, XLogP of 40.75, 40 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylaniline;bis(tert-butyl (2S,3R)-2-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]carbamoyl]-3-fluoropyrrolidine-1-carboxylate);bis((2S,3R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoropyrrolidine-2-carboxamide);bis((2S,3R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-3-fluoro-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide);1,1-difluoro-4-isocyanocyclohexane;(2S,3R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 167665804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).