N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride

C154H203ClF4N32O19S2 — CID 160883613

About N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride

N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride (PubChem CID 160883613) has the molecular formula C154H203ClF4N32O19S2 and a molecular weight of 2982.10 g/mol. Its IUPAC name is N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride
• PubChem CID: 160883613
• Molecular Formula: C154H203ClF4N32O19S2
• Molecular Weight: 2982.10 g/mol
• Exact Mass: 2979.50
• IUPAC Name: N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride
• SMILES: CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnns2)C(=O)N2CCC(C)(O)CC2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnns2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2conc2C2CCNCC2)C(=O)N2CCC(C)(O)CC2)cc1F)C1CCC(C)CC1.Cl
• InChI: InChI=1S/C41H54FN7O4.C40H55FN8O6.C39H48FN9O4S.C34H45FN8O5S.ClH/c1-4-49-35(18-19-43-49)39(51)46-38(31-14-10-27(2)11-15-31)40(52)44-34-17-16-32(25-33(34)42)28(3)37(45-36(50)24-29-12-13-29)41(53)48-22-20-47(21-23-48)26-30-8-6-5-7-9-30;1-5-49-32(14-19-43-49)37(51)46-35(26-8-6-24(2)7-9-26)38(52)44-31-11-10-28(22-30(31)41)25(3)33(39(53)48-20-15-40(4,54)16-21-48)45-36(50)29-23-55-47-34(29)27-12-17-42-18-13-27;1-4-49-32(16-17-42-49)36(50)45-35(28-12-10-25(2)11-13-28)38(52)43-31-15-14-29(22-30(31)40)26(3)34(44-37(51)33-23-41-46-54-33)39(53)48-20-18-47(19-21-48)24-27-8-6-5-7-9-27;1-5-43-26(12-15-37-43)30(44)40-29(22-8-6-20(2)7-9-22)32(46)38-25-11-10-23(18-24(25)35)21(3)28(39-31(45)27-19-36-41-49-27)33(47)42-16-13-34(4,48)14-17-42;/h5-9,16-19,25,27-29,31,37-38H,4,10-15,20-24,26H2,1-3H3,(H,44,52)(H,45,50)(H,46,51);10-11,14,19,22-27,33,35,42,54H,5-9,12-13,15-18,20-21H2,1-4H3,(H,44,52)(H,45,50)(H,46,51);5-9,14-17,22-23,25-26,28,34-35H,4,10-13,18-21,24H2,1-3H3,(H,43,52)(H,44,51)(H,45,50);10-12,15,18-22,28-29,48H,5-9,13-14,16-17H2,1-4H3,(H,38,46)(H,39,45)(H,40,44);1H/t27?,28-,31?,37+,38-;24?,25-,26?,33+,35-;25?,26-,28?,34+,35-;20?,21-,22?,28+,29-;/m0000./s1
• InChIKey: ZDFSXGKLPDKNPG-KYCDNRHCSA-N
• XLogP: 18.53
• TPSA: 638.28 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 50
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2982.10
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride?

The IUPAC name of N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride (CID 160883613) is N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride.

What is the SMILES notation for N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride?

The canonical SMILES for N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride is CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnns2)C(=O)N2CCC(C)(O)CC2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnns2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1F)C1CCC(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2conc2C2CCNCC2)C(=O)N2CCC(C)(O)CC2)cc1F)C1CCC(C)CC1.Cl.

What is the InChIKey of N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride?

The InChIKey is ZDFSXGKLPDKNPG-KYCDNRHCSA-N. The full InChI is InChI=1S/C41H54FN7O4.C40H55FN8O6.C39H48FN9O4S.C34H45FN8O5S.ClH/c1-4-49-35(18-19-43-49)39(51)46-38(31-14-10-27(2)11-15-31)40(52)44-34-17-16-32(25-33(34)42)28(3)37(45-36(50)24-29-12-13-29)41(53)48-22-20-47(21-23-48)26-30-8-6-5-7-9-30;1-5-49-32(14-19-43-49)37(51)46-35(26-8-6-24(2)7-9-26)38(52)44-31-11-10-28(22-30(31)41)25(3)33(39(53)48-20-15-40(4,54)16-21-48)45-36(50)29-23-55-47-34(29)27-12-17-42-18-13-27;1-4-49-32(16-17-42-49)36(50)45-35(28-12-10-25(2)11-13-28)38(52)43-31-15-14-29(22-30(31)40)26(3)34(44-37(51)33-23-41-46-54-33)39(53)48-20-18-47(19-21-48)24-27-8-6-5-7-9-27;1-5-43-26(12-15-37-43)30(44)40-29(22-8-6-20(2)7-9-22)32(46)38-25-11-10-23(18-24(25)35)21(3)28(39-31(45)27-19-36-41-49-27)33(47)42-16-13-34(4,48)14-17-42;/h5-9,16-19,25,27-29,31,37-38H,4,10-15,20-24,26H2,1-3H3,(H,44,52)(H,45,50)(H,46,51);10-11,14,19,22-27,33,35,42,54H,5-9,12-13,15-18,20-21H2,1-4H3,(H,44,52)(H,45,50)(H,46,51);5-9,14-17,22-23,25-26,28,34-35H,4,10-13,18-21,24H2,1-3H3,(H,43,52)(H,44,51)(H,45,50);10-12,15,18-22,28-29,48H,5-9,13-14,16-17H2,1-4H3,(H,38,46)(H,39,45)(H,40,44);1H/t27?,28-,31?,37+,38-;24?,25-,26?,33+,35-;25?,26-,28?,34+,35-;20?,21-,22?,28+,29-;/m0000./s1.

What are the key properties of N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride?

N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 2982.10 g/mol, XLogP of 18.53, 50 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[4-[(2S,3R)-4-(4-benzylpiperazin-1-yl)-3-[(2-cyclopropylacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3-piperidin-4-yl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[(2-ethylpyrazole-3-carbonyl)amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 160883613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).