tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate

C25H32N4O3 — CID 121240350

IUPACtert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate
SMILESCC(C)n1cc(CC(NC(=O)OC(C)(C)C)C(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C25H32N4O3/c1-17(2)29-16-18(20-11-6-7-12-22(20)29)14-21(28-24(31)32-25(3,4)5)23(30)27-15-19-10-8-9-13-26-19/h6-13,16-17,21H,14-15H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyBPERWKOXUGSTOD-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.37
Rot. Bonds7

About tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate

tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate (PubChem CID 121240350) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate
PubChem CID121240350
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Nametert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate
SMILESCC(C)n1cc(CC(NC(=O)OC(C)(C)C)C(=O)NCc2ccccn2)c2ccccc21
InChIInChI=1S/C25H32N4O3/c1-17(2)29-16-18(20-11-6-7-12-22(20)29)14-21(28-24(31)32-25(3,4)5)23(30)27-15-19-10-8-9-13-26-19/h6-13,16-17,21H,14-15H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyBPERWKOXUGSTOD-UHFFFAOYSA-N
XLogP4.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-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-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
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 3-[(2S)-3-(benzylamino)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxopropyl]indole-1-carboxylate
CID 10794204
tert-butyl 3-[3-(2-hydroxyethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate
CID 167524860
tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate
CID 77156771
tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
CID 135637963
tert-butyl N-[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 118389623
2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 171476841
3-(5-methoxy-1-propan-2-ylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881645
(2R)-2-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126483043
(2R)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7021874

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate (CID 121240350) is tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate is CC(C)n1cc(CC(NC(=O)OC(C)(C)C)C(=O)NCc2ccccn2)c2ccccc21.
What is the InChIKey of tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate?
The InChIKey is BPERWKOXUGSTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)29-16-18(20-11-6-7-12-22(20)29)14-21(28-24(31)32-25(3,4)5)23(30)27-15-19-10-8-9-13-26-19/h6-13,16-17,21H,14-15H2,1-5H3,(H,27,30)(H,28,31).
What are the key properties of tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate?
tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate has a molecular weight of 436.56 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 121240350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).