tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate

C23H26N6O4 — CID 121239796

IUPACtert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCn1cc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2n[nH]c(-c3ccco3)n2)c2ccccc21
InChIInChI=1S/C23H26N6O4/c1-23(2,3)33-22(31)24-16(12-14-13-29(4)17-9-6-5-8-15(14)17)20(30)26-21-25-19(27-28-21)18-10-7-11-32-18/h5-11,13,16H,12H2,1-4H3,(H,24,31)(H2,25,26,27,28,30)
InChIKeyJZFYOFVSDPWIRV-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.63
Rot. Bonds6

About tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 121239796) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID121239796
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Nametert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCn1cc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2n[nH]c(-c3ccco3)n2)c2ccccc21
InChIInChI=1S/C23H26N6O4/c1-23(2,3)33-22(31)24-16(12-14-13-29(4)17-9-6-5-8-15(14)17)20(30)26-21-25-19(27-28-21)18-10-7-11-32-18/h5-11,13,16H,12H2,1-4H3,(H,24,31)(H2,25,26,27,28,30)
InChIKeyJZFYOFVSDPWIRV-UHFFFAOYSA-N
XLogP3.63
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate 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 N-[3-(1-methylindol-3-yl)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 121240811
3-(1-methylindol-3-yl)-2-[[(2R)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 166669213
tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
CID 135637963
tert-butyl N-[3-(1-methylindol-3-yl)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]carbamate
CID 135637960
tert-butyl N-[(2R)-1-[(2-methyl-3H-benzimidazol-5-yl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126418139
tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate
CID 126418441
(2R)-2-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126483043
tert-butyl N-[3-(1-methylindol-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate
CID 121240217
benzyl (2R)-3-(1-methylindol-3-yl)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 131718329
3-[2-(furan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881140
tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
CID 107236890
4-[2-[(2R)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyethylamino]-4-oxobutanoic acid
CID 140785222

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate (CID 121239796) is tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate is Cn1cc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2n[nH]c(-c3ccco3)n2)c2ccccc21.
What is the InChIKey of tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is JZFYOFVSDPWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-23(2,3)33-22(31)24-16(12-14-13-29(4)17-9-6-5-8-15(14)17)20(30)26-21-25-19(27-28-21)18-10-7-11-32-18/h5-11,13,16H,12H2,1-4H3,(H,24,31)(H2,25,26,27,28,30).
What are the key properties of tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 450.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 121239796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).