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

C25H35ClN4O5 — CID 59494962

IUPACtert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCOCCCn1ncc2c(Cl)cc(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C3CC3)cc21
InChIInChI=1S/C25H35ClN4O5/c1-25(2,3)35-24(32)28-9-11-34-22(16-28)23(31)29(18-6-7-18)15-17-12-20(26)19-14-27-30(21(19)13-17)8-5-10-33-4/h12-14,18,22H,5-11,15-16H2,1-4H3/t22-/m1/s1
InChIKeySCKQBCQLWXMABD-JOCHJYFZSA-N
MW507.03 g/mol
LogP3.85
Rot. Bonds8

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

tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (PubChem CID 59494962) has the molecular formula C25H35ClN4O5 and a molecular weight of 507.03 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
PubChem CID59494962
Molecular FormulaC25H35ClN4O5
Molecular Weight507.03 g/mol
Exact Mass506.23
IUPAC Nametert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCOCCCn1ncc2c(Cl)cc(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C3CC3)cc21
InChIInChI=1S/C25H35ClN4O5/c1-25(2,3)35-24(32)28-9-11-34-22(16-28)23(31)29(18-6-7-18)15-17-12-20(26)19-14-27-30(21(19)13-17)8-5-10-33-4/h12-14,18,22H,5-11,15-16H2,1-4H3/t22-/m1/s1
InChIKeySCKQBCQLWXMABD-JOCHJYFZSA-N
XLogP3.85
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.03
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494198
N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494664
tert-butyl (2R)-2-[[4-chloro-5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494555
tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494528
tert-butyl (2R)-2-[[3-benzyl-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494867
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-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494937
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494410
tert-butyl (2R)-2-[[2-bromo-4-hydroxy-5-(3-methoxypropoxy)phenyl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 126583389
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-[cyclopropyl-[[3-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494882

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (CID 59494962) is tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is COCCCn1ncc2c(Cl)cc(CN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C3CC3)cc21.
What is the InChIKey of tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The InChIKey is SCKQBCQLWXMABD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H35ClN4O5/c1-25(2,3)35-24(32)28-9-11-34-22(16-28)23(31)29(18-6-7-18)15-17-12-20(26)19-14-27-30(21(19)13-17)8-5-10-33-4/h12-14,18,22H,5-11,15-16H2,1-4H3/t22-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate has a molecular weight of 507.03 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 59494962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).