4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid

C23H27FN4O4 — CID 174498817

IUPAC4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCC(CCN)C(=O)O)cc21
InChIInChI=1S/C23H27FN4O4/c1-14(2)13-28-20-10-19(22(29)26-11-15(7-8-25)23(30)31)21(9-16(20)12-27-28)32-18-5-3-17(24)4-6-18/h3-6,9-10,12,14-15H,7-8,11,13,25H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyPWTGINUPLFPOPQ-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.40
Rot. Bonds10

About 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid

4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid (PubChem CID 174498817) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid
PubChem CID174498817
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCC(CCN)C(=O)O)cc21
InChIInChI=1S/C23H27FN4O4/c1-14(2)13-28-20-10-19(22(29)26-11-15(7-8-25)23(30)31)21(9-16(20)12-27-28)32-18-5-3-17(24)4-6-18/h3-6,9-10,12,14-15H,7-8,11,13,25H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyPWTGINUPLFPOPQ-UHFFFAOYSA-N
XLogP3.40
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

N-[(2S)-4-amino-1-hydroxybutan-2-yl]-5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxamide
CID 69113789
5-(4-fluorophenoxy)-1-(2-methylpropyl)-N-(2-pyrrolidin-1-ylethyl)indazole-6-carboxamide
CID 57484107
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
2-(4-fluorophenoxy)-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120533493
5-(2,4-difluorophenoxy)-N-[(2S)-1-hydroxy-4-(propan-2-ylamino)butan-2-yl]-1-(2-methylpropyl)indazole-6-carboxamide
CID 67411669
[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazol-6-yl] N-(2-pyrrolidin-1-ylethyl)carbamate
CID 69113885
2-[[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]-2-methyl-4-pyrrolidin-1-ylbutanoic acid
CID 69328939
[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazol-6-yl]-[2-(dimethylamino)ethylamino]methanol
CID 138538236
2-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252730
[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine
CID 71027778
N-[(2S)-1-amino-4-(dimethylamino)-1-oxobutan-2-yl]-1-tert-butyl-5-(2,4-difluorophenoxy)indazole-6-carboxamide
CID 156596422

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid (CID 174498817) is 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCC(CCN)C(=O)O)cc21.
What is the InChIKey of 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid?
The InChIKey is PWTGINUPLFPOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-14(2)13-28-20-10-19(22(29)26-11-15(7-8-25)23(30)31)21(9-16(20)12-27-28)32-18-5-3-17(24)4-6-18/h3-6,9-10,12,14-15H,7-8,11,13,25H2,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid?
4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid has a molecular weight of 442.49 g/mol, XLogP of 3.40, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 174498817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).