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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Related Compounds

[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate
CID 69113885
4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid
CID 174498817
N-[(2S)-4-amino-1-hydroxybutan-2-yl]-5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxamide
CID 69113789
2-[[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]-2-methyl-4-pyrrolidin-1-ylbutanoic acid
CID 69328939
4-(dimethylamino)-1-[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl]butan-1-one
CID 153051794
5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxylic acid
CID 57418763
5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide
CID 67411669
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
2-(4-fluorophenoxy)-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120533493
N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 66560068
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916

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).