tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate

C19H24N4O2 — CID 166473228

IUPACtert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate
SMILESC[C@H](Cc1c[nH]c2cc(-c3cn[nH]c3)ccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O2/c1-12(23-18(24)25-19(2,3)4)7-14-9-20-17-8-13(5-6-16(14)17)15-10-21-22-11-15/h5-6,8-12,20H,7H2,1-4H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeySBPIJUIHWGBJJU-GFCCVEGCSA-N
MW340.43 g/mol
LogP4.01
Rot. Bonds4

About tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate (PubChem CID 166473228) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate
PubChem CID166473228
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nametert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate
SMILESC[C@H](Cc1c[nH]c2cc(-c3cn[nH]c3)ccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O2/c1-12(23-18(24)25-19(2,3)4)7-14-9-20-17-8-13(5-6-16(14)17)15-10-21-22-11-15/h5-6,8-12,20H,7H2,1-4H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeySBPIJUIHWGBJJU-GFCCVEGCSA-N
XLogP4.01
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-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-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 166473311
3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
CID 174209743
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate
CID 83984638
tert-butyl N-[1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-yl]carbamate
CID 83984526
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
CID 145005816
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
(3S)-4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 7010027
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625
4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate (CID 166473228) is tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate is C[C@H](Cc1c[nH]c2cc(-c3cn[nH]c3)ccc12)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate?
The InChIKey is SBPIJUIHWGBJJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(23-18(24)25-19(2,3)4)7-14-9-20-17-8-13(5-6-16(14)17)15-10-21-22-11-15/h5-6,8-12,20H,7H2,1-4H3,(H,21,22)(H,23,24)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate has a molecular weight of 340.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 166473228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).