1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate

C28H30N4O3 — CID 71176686

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3ccn(C)n3)c3ccc(O)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C28H30N4O3/c1-17(18-6-7-18)35-28(34)29-20-10-8-19(9-11-20)27-26(24-14-15-31(2)30-24)23-13-12-22(33)16-25(23)32(27)21-4-3-5-21/h8-18,21,33H,3-7H2,1-2H3,(H,29,34)
InChIKeyGZDMVAFHRPDVSZ-UHFFFAOYSA-N
MW470.57 g/mol
LogP6.49
Rot. Bonds6

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate (PubChem CID 71176686) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate
PubChem CID71176686
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3ccn(C)n3)c3ccc(O)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C28H30N4O3/c1-17(18-6-7-18)35-28(34)29-20-10-8-19(9-11-20)27-26(24-14-15-31(2)30-24)23-13-12-22(33)16-25(23)32(27)21-4-3-5-21/h8-18,21,33H,3-7H2,1-2H3,(H,29,34)
InChIKeyGZDMVAFHRPDVSZ-UHFFFAOYSA-N
XLogP6.49
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate (CID 71176686) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(-c3ccn(C)n3)c3ccc(O)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate?
The InChIKey is GZDMVAFHRPDVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-17(18-6-7-18)35-28(34)29-20-10-8-19(9-11-20)27-26(24-14-15-31(2)30-24)23-13-12-22(33)16-25(23)32(27)21-4-3-5-21/h8-18,21,33H,3-7H2,1-2H3,(H,29,34).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 470.57 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-hydroxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 71176686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).