tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate

C24H33ClN4O4 — CID 59494528

IUPACtert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)N(Cc2ccc3c(Cl)cn(CCN)c3c2)C2CC2)C1
InChIInChI=1S/C24H33ClN4O4/c1-24(2,3)33-23(31)28-10-11-32-21(15-28)22(30)29(17-5-6-17)13-16-4-7-18-19(25)14-27(9-8-26)20(18)12-16/h4,7,12,14,17,21H,5-6,8-11,13,15,26H2,1-3H3
InChIKeyNWLYZYGYLFQTRO-UHFFFAOYSA-N
MW477.01 g/mol
LogP3.38
Rot. Bonds6

About tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate

tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (PubChem CID 59494528) has the molecular formula C24H33ClN4O4 and a molecular weight of 477.01 g/mol. Its IUPAC name is tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
PubChem CID59494528
Molecular FormulaC24H33ClN4O4
Molecular Weight477.01 g/mol
Exact Mass476.22
IUPAC Nametert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)N(Cc2ccc3c(Cl)cn(CCN)c3c2)C2CC2)C1
InChIInChI=1S/C24H33ClN4O4/c1-24(2,3)33-23(31)28-10-11-32-21(15-28)22(30)29(17-5-6-17)13-16-4-7-18-19(25)14-27(9-8-26)20(18)12-16/h4,7,12,14,17,21H,5-6,8-11,13,15,26H2,1-3H3
InChIKeyNWLYZYGYLFQTRO-UHFFFAOYSA-N
XLogP3.38
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494962
tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494198
tert-butyl (2R)-2-[[4-chloro-5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494555
3-[3-[[cyclopropyl-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carbonyl]amino]methyl]indol-1-yl]propylcarbamic acid
CID 126583328
2-[3-chloro-6-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]indol-1-yl]ethylcarbamic acid
CID 141222095
tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494184
methyl N-[2-[3-chloro-6-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]indol-1-yl]ethyl]-N-methylcarbamate
CID 59494910
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-[[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)indazol-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494664
tert-butyl (2R)-2-[[7-cyano-1-(3-methoxypropyl)indol-3-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494407

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate (CID 59494528) is tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C(=O)N(Cc2ccc3c(Cl)cn(CCN)c3c2)C2CC2)C1.
What is the InChIKey of tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
The InChIKey is NWLYZYGYLFQTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O4/c1-24(2,3)33-23(31)28-10-11-32-21(15-28)22(30)29(17-5-6-17)13-16-4-7-18-19(25)14-27(9-8-26)20(18)12-16/h4,7,12,14,17,21H,5-6,8-11,13,15,26H2,1-3H3.
What are the key properties of tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate?
tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate has a molecular weight of 477.01 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(2-aminoethyl)-3-chloroindol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 59494528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).