tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate

C28H32N6O4 — CID 59394157

IUPACtert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)n(C)n3)c2)ccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C28H32N6O4/c1-28(2,3)38-27(36)32(4)17-20-15-22(10-12-29-20)37-21-8-9-23-19(14-21)11-13-34(23)26(35)30-25-16-24(18-6-7-18)33(5)31-25/h8-16,18H,6-7,17H2,1-5H3,(H,30,31,35)
InChIKeyWYUNKRAUXIJLFF-UHFFFAOYSA-N
MW516.60 g/mol
LogP5.89
Rot. Bonds6

About tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate

tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate (PubChem CID 59394157) has the molecular formula C28H32N6O4 and a molecular weight of 516.60 g/mol. Its IUPAC name is tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate
PubChem CID59394157
Molecular FormulaC28H32N6O4
Molecular Weight516.60 g/mol
Exact Mass516.25
IUPAC Nametert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)n(C)n3)c2)ccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C28H32N6O4/c1-28(2,3)38-27(36)32(4)17-20-15-22(10-12-29-20)37-21-8-9-23-19(14-21)11-13-34(23)26(35)30-25-16-24(18-6-7-18)33(5)31-25/h8-16,18H,6-7,17H2,1-5H3,(H,30,31,35)
InChIKeyWYUNKRAUXIJLFF-UHFFFAOYSA-N
XLogP5.89
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate 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 tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate (CID 59394157) is tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate is CN(Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)n(C)n3)c2)ccn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate?
The InChIKey is WYUNKRAUXIJLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4/c1-28(2,3)38-27(36)32(4)17-20-15-22(10-12-29-20)37-21-8-9-23-19(14-21)11-13-34(23)26(35)30-25-16-24(18-6-7-18)33(5)31-25/h8-16,18H,6-7,17H2,1-5H3,(H,30,31,35).
What are the key properties of tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate?
tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate has a molecular weight of 516.60 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 59394157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).