[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate

C24H29FN4O3 — CID 69113885

IUPAC[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(OC(=O)NCCN3CCCC3)cc21
InChIInChI=1S/C24H29FN4O3/c1-17(2)16-29-21-14-23(32-24(30)26-9-12-28-10-3-4-11-28)22(13-18(21)15-27-29)31-20-7-5-19(25)6-8-20/h5-8,13-15,17H,3-4,9-12,16H2,1-2H3,(H,26,30)
InChIKeyCPDVFZDBUZCFIM-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.81
Rot. Bonds8

About [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate

[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate (PubChem CID 69113885) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate.

Molecular Properties

Compound Name[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate
PubChem CID69113885
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(OC(=O)NCCN3CCCC3)cc21
InChIInChI=1S/C24H29FN4O3/c1-17(2)16-29-21-14-23(32-24(30)26-9-12-28-10-3-4-11-28)22(13-18(21)15-27-29)31-20-7-5-19(25)6-8-20/h5-8,13-15,17H,3-4,9-12,16H2,1-2H3,(H,26,30)
InChIKeyCPDVFZDBUZCFIM-UHFFFAOYSA-N
XLogP4.81
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate?
The IUPAC name of [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate (CID 69113885) is [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate.
What is the SMILES notation for [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate?
The canonical SMILES for [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(OC(=O)NCCN3CCCC3)cc21.
What is the InChIKey of [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate?
The InChIKey is CPDVFZDBUZCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-17(2)16-29-21-14-23(32-24(30)26-9-12-28-10-3-4-11-28)22(13-18(21)15-27-29)31-20-7-5-19(25)6-8-20/h5-8,13-15,17H,3-4,9-12,16H2,1-2H3,(H,26,30).
What are the key properties of [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate?
[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate has a molecular weight of 440.52 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate is sourced from PubChem (CID 69113885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).