(4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate

C63H83Cl2N11O7 — CID 91335566

About (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate

(4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate (PubChem CID 91335566) has the molecular formula C63H83Cl2N11O7 and a molecular weight of 1177.33 g/mol. Its IUPAC name is (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate
• PubChem CID: 91335566
• Molecular Formula: C63H83Cl2N11O7
• Molecular Weight: 1177.33 g/mol
• Exact Mass: 1175.59
• IUPAC Name: (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate
• SMILES: CC1CC(C)C(OC(=O)[C@@H]2CCC(C)CC2OCNC(C)C(=O)Nc2cccc(-c3nc4c(Cl)c(C(C)C)[nH]n4n3)c2)C(C)C1.CCc1[nH]n2nc(-c3ccc(NCOC4CCCC[C@H]4C(=O)OCc4ccc(C)cc4)c(C)c3)nc2c1Cl
• InChI: InChI=1S/C34H49ClN6O4.C29H34ClN5O3/c1-18(2)29-28(35)32-38-31(40-41(32)39-29)24-9-8-10-25(16-24)37-33(42)23(7)36-17-44-27-15-19(3)11-12-26(27)34(43)45-30-21(5)13-20(4)14-22(30)6;1-4-23-26(30)28-32-27(34-35(28)33-23)21-13-14-24(19(3)15-21)31-17-38-25-8-6-5-7-22(25)29(36)37-16-20-11-9-18(2)10-12-20/h8-10,16,18-23,26-27,30,36,39H,11-15,17H2,1-7H3,(H,37,42);9-15,22,25,31,33H,4-8,16-17H2,1-3H3/t19?,20?,21?,22?,23?,26-,27?,30?;22-,25?/m11/s1
• InChIKey: IWAYDXRPSYRCIQ-LNLNXNMKSA-N
• XLogP: 13.06
• TPSA: 216.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.33
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate?

The IUPAC name of (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate (CID 91335566) is (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate.

What is the SMILES notation for (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate?

The canonical SMILES for (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate is CC1CC(C)C(OC(=O)[C@@H]2CCC(C)CC2OCNC(C)C(=O)Nc2cccc(-c3nc4c(Cl)c(C(C)C)[nH]n4n3)c2)C(C)C1.CCc1[nH]n2nc(-c3ccc(NCOC4CCCC[C@H]4C(=O)OCc4ccc(C)cc4)c(C)c3)nc2c1Cl.

What is the InChIKey of (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate?

The InChIKey is IWAYDXRPSYRCIQ-LNLNXNMKSA-N. The full InChI is InChI=1S/C34H49ClN6O4.C29H34ClN5O3/c1-18(2)29-28(35)32-38-31(40-41(32)39-29)24-9-8-10-25(16-24)37-33(42)23(7)36-17-44-27-15-19(3)11-12-26(27)34(43)45-30-21(5)13-20(4)14-22(30)6;1-4-23-26(30)28-32-27(34-35(28)33-23)21-13-14-24(19(3)15-21)31-17-38-25-8-6-5-7-22(25)29(36)37-16-20-11-9-18(2)10-12-20/h8-10,16,18-23,26-27,30,36,39H,11-15,17H2,1-7H3,(H,37,42);9-15,22,25,31,33H,4-8,16-17H2,1-3H3/t19?,20?,21?,22?,23?,26-,27?,30?;22-,25?/m11/s1.

What are the key properties of (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate?

(4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate has a molecular weight of 1177.33 g/mol, XLogP of 13.06, 19 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylphenyl)methyl (1R)-2-[[4-(7-chloro-6-ethyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylanilino]methoxy]cyclohexane-1-carboxylate;(2,4,6-trimethylcyclohexyl) (1R)-2-[[[1-[3-(7-chloro-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxopropan-2-yl]amino]methoxy]-4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 91335566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).