tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate

C25H35FN4O5 — CID 59494664

IUPACtert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
SMILESCOCCCn1nc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)c2cc(F)ccc21
InChIInChI=1S/C25H35FN4O5/c1-25(2,3)35-24(32)28-11-13-34-22(16-28)23(31)29(18-7-8-18)15-20-19-14-17(26)6-9-21(19)30(27-20)10-5-12-33-4/h6,9,14,18,22H,5,7-8,10-13,15-16H2,1-4H3/t22-/m1/s1
InChIKeyVZWPEIHVTRKQQI-JOCHJYFZSA-N
MW490.58 g/mol
LogP3.34
Rot. Bonds8

About tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate (PubChem CID 59494664) has the molecular formula C25H35FN4O5 and a molecular weight of 490.58 g/mol. Its IUPAC name is tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
PubChem CID59494664
Molecular FormulaC25H35FN4O5
Molecular Weight490.58 g/mol
Exact Mass490.26
IUPAC Nametert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
SMILESCOCCCn1nc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)c2cc(F)ccc21
InChIInChI=1S/C25H35FN4O5/c1-25(2,3)35-24(32)28-11-13-34-22(16-28)23(31)29(18-7-8-18)15-20-19-14-17(26)6-9-21(19)30(27-20)10-5-12-33-4/h6,9,14,18,22H,5,7-8,10-13,15-16H2,1-4H3/t22-/m1/s1
InChIKeyVZWPEIHVTRKQQI-JOCHJYFZSA-N
XLogP3.34
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494198
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494410
tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494962
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-[[1-(3-methoxypropyl)-7-methylpyrrolo[3,2-b]pyridin-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494863
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-[[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
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-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494937
tert-butyl 2-[cyclopropyl-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494183

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate (CID 59494664) is tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate is COCCCn1nc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)c2cc(F)ccc21.
What is the InChIKey of tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate?
The InChIKey is VZWPEIHVTRKQQI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H35FN4O5/c1-25(2,3)35-24(32)28-11-13-34-22(16-28)23(31)29(18-7-8-18)15-20-19-14-17(26)6-9-21(19)30(27-20)10-5-12-33-4/h6,9,14,18,22H,5,7-8,10-13,15-16H2,1-4H3/t22-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate has a molecular weight of 490.58 g/mol, XLogP of 3.34, 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-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 59494664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).