tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate

C31H46N4O5 — CID 59494198

IUPACtert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCOCCCn1nc(C2CCCCC2)c2ccc(CN(C(=O)C3CN(C(=O)OC(C)(C)C)CCO3)C3CC3)cc21
InChIInChI=1S/C31H46N4O5/c1-31(2,3)40-30(37)33-16-18-39-27(21-33)29(36)34(24-12-13-24)20-22-11-14-25-26(19-22)35(15-8-17-38-4)32-28(25)23-9-6-5-7-10-23/h11,14,19,23-24,27H,5-10,12-13,15-18,20-21H2,1-4H3
InChIKeyCJODXIDIPIAQOH-UHFFFAOYSA-N
MW554.73 g/mol
LogP5.25
Rot. Bonds9

About tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate

tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (PubChem CID 59494198) has the molecular formula C31H46N4O5 and a molecular weight of 554.73 g/mol. Its IUPAC name is tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
PubChem CID59494198
Molecular FormulaC31H46N4O5
Molecular Weight554.73 g/mol
Exact Mass554.35
IUPAC Nametert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCOCCCn1nc(C2CCCCC2)c2ccc(CN(C(=O)C3CN(C(=O)OC(C)(C)C)CCO3)C3CC3)cc21
InChIInChI=1S/C31H46N4O5/c1-31(2,3)40-30(37)33-16-18-39-27(21-33)29(36)34(24-12-13-24)20-22-11-14-25-26(19-22)35(15-8-17-38-4)32-28(25)23-9-6-5-7-10-23/h11,14,19,23-24,27H,5-10,12-13,15-18,20-21H2,1-4H3
InChIKeyCJODXIDIPIAQOH-UHFFFAOYSA-N
XLogP5.25
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494962
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494664
tert-butyl (2R)-2-[[3-benzyl-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494867
tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494528
tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494937
tert-butyl (2R)-2-[[4-chloro-5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494555
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494410
tert-butyl (2R)-2-[cyclopropyl-[[3-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494882
tert-butyl (2R)-2-[cyclopropyl-[[1-(3-methoxypropyl)-7-methylpyrrolo[3,2-b]pyridin-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494863
tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494184
tert-butyl (2R)-2-[[7-cyano-1-(3-methoxypropyl)indol-3-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494407
tert-butyl (2R)-2-[[2-bromo-4-hydroxy-5-(3-methoxypropoxy)phenyl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 126583389

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (CID 59494198) is tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is COCCCn1nc(C2CCCCC2)c2ccc(CN(C(=O)C3CN(C(=O)OC(C)(C)C)CCO3)C3CC3)cc21.
What is the InChIKey of tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The InChIKey is CJODXIDIPIAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N4O5/c1-31(2,3)40-30(37)33-16-18-39-27(21-33)29(36)34(24-12-13-24)20-22-11-14-25-26(19-22)35(15-8-17-38-4)32-28(25)23-9-6-5-7-10-23/h11,14,19,23-24,27H,5-10,12-13,15-18,20-21H2,1-4H3.
What are the key properties of tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate has a molecular weight of 554.73 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 59494198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).