tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate

C21H25N3O2 — CID 151101913

IUPACtert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)Cc1c[nH]c2cnccc12
InChIInChI=1S/C21H25N3O2/c1-21(2,3)26-20(25)24-17(11-15-7-5-4-6-8-15)12-16-13-23-19-14-22-10-9-18(16)19/h4-10,13-14,17,23H,11-12H2,1-3H3,(H,24,25)/t17-/m1/s1
InChIKeyMOHJDNKSKKENQF-QGZVFWFLSA-N
MW351.45 g/mol
LogP4.24
Rot. Bonds5

About tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate (PubChem CID 151101913) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate
PubChem CID151101913
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Nametert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)Cc1c[nH]c2cnccc12
InChIInChI=1S/C21H25N3O2/c1-21(2,3)26-20(25)24-17(11-15-7-5-4-6-8-15)12-16-13-23-19-14-22-10-9-18(16)19/h4-10,13-14,17,23H,11-12H2,1-3H3,(H,24,25)/t17-/m1/s1
InChIKeyMOHJDNKSKKENQF-QGZVFWFLSA-N
XLogP4.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)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-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625
tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate
CID 177310309
4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
tert-butyl N-[1-(7-methyl-1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 175116528
[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 142070934
(3S)-4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 7010027
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]isoquinoline-5-carboxylate
CID 175481359
tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(2-pyridin-4-ylethenyl)-3-pyridinyl]amino]propan-2-yl]carbamate
CID 91192352
tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(isoquinolin-5-ylamino)-3-pyridinyl]amino]propan-2-yl]carbamate
CID 91228232
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
benzyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10318477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate (CID 151101913) is tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)Cc1c[nH]c2cnccc12.
What is the InChIKey of tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate?
The InChIKey is MOHJDNKSKKENQF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,3)26-20(25)24-17(11-15-7-5-4-6-8-15)12-16-13-23-19-14-22-10-9-18(16)19/h4-10,13-14,17,23H,11-12H2,1-3H3,(H,24,25)/t17-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate has a molecular weight of 351.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 151101913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).