methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate

C26H38N4O5 — CID 175973045

IUPACmethyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
SMILESCOC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(n2cc3ccc(C(=O)OC)cc3n2)CC1
InChIInChI=1S/C26H38N4O5/c1-26(2,3)35-25(32)28-12-13-29(22(16-28)17-33-4)20-8-10-21(11-9-20)30-15-19-7-6-18(24(31)34-5)14-23(19)27-30/h6-7,14-15,20-22H,8-13,16-17H2,1-5H3/t20?,21?,22-/m1/s1
InChIKeyRBZBNSCWXQATEN-LZBANZJXSA-N
MW486.61 g/mol
LogP3.87
Rot. Bonds5

About methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate

methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate (PubChem CID 175973045) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
PubChem CID175973045
Molecular FormulaC26H38N4O5
Molecular Weight486.61 g/mol
Exact Mass486.28
IUPAC Namemethyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
SMILESCOC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(n2cc3ccc(C(=O)OC)cc3n2)CC1
InChIInChI=1S/C26H38N4O5/c1-26(2,3)35-25(32)28-12-13-29(22(16-28)17-33-4)20-8-10-21(11-9-20)30-15-19-7-6-18(24(31)34-5)14-23(19)27-30/h6-7,14-15,20-22H,8-13,16-17H2,1-5H3/t20?,21?,22-/m1/s1
InChIKeyRBZBNSCWXQATEN-LZBANZJXSA-N
XLogP3.87
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate with MolForge

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Related Compounds

methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate
CID 176886480
methyl 2-cyclopropyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 126617375
tert-butyl 4-[4-[5-amino-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexyl]piperazine-1-carboxylate
CID 170436386
tert-butyl 3-(5-bromoindazol-2-yl)piperidine-1-carboxylate
CID 175058391
tert-butyl 3-[[4-methoxycarbonyl-2-(methylsulfamoyl)phenoxy]methyl]piperidine-1-carboxylate
CID 176892349
methyl 5-[(8,8-difluoro-6,7-dihydro-5H-quinoline-2-carbonyl)amino]-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
CID 175973052
tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439497
tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 90730266
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate?
The IUPAC name of methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate (CID 175973045) is methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate.
What is the SMILES notation for methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate?
The canonical SMILES for methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate is COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC(n2cc3ccc(C(=O)OC)cc3n2)CC1.
What is the InChIKey of methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate?
The InChIKey is RBZBNSCWXQATEN-LZBANZJXSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-26(2,3)35-25(32)28-12-13-29(22(16-28)17-33-4)20-8-10-21(11-9-20)30-15-19-7-6-18(24(31)34-5)14-23(19)27-30/h6-7,14-15,20-22H,8-13,16-17H2,1-5H3/t20?,21?,22-/m1/s1.
What are the key properties of methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate?
methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate has a molecular weight of 486.61 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate is sourced from PubChem (CID 175973045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).