5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide

C24H29FN4O2 — CID 57484107

IUPAC5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCN3CCCC3)cc21
InChIInChI=1S/C24H29FN4O2/c1-17(2)16-29-22-14-21(24(30)26-9-12-28-10-3-4-11-28)23(13-18(22)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)
InChIKeyHJEQVNQTIDSKSM-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.45
Rot. Bonds8

About 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide

5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide (PubChem CID 57484107) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide
PubChem CID57484107
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCN3CCCC3)cc21
InChIInChI=1S/C24H29FN4O2/c1-17(2)16-29-22-14-21(24(30)26-9-12-28-10-3-4-11-28)23(13-18(22)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)
InChIKeyHJEQVNQTIDSKSM-UHFFFAOYSA-N
XLogP4.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide?
The IUPAC name of 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide (CID 57484107) is 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide?
The canonical SMILES for 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCN3CCCC3)cc21.
What is the InChIKey of 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide?
The InChIKey is HJEQVNQTIDSKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-17(2)16-29-22-14-21(24(30)26-9-12-28-10-3-4-11-28)23(13-18(22)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)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide?
5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 57484107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).