4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid

C23H25N3O5 — CID 14626829

IUPAC4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C23H25N3O5/c1-26-20-10-9-16(24-23(29)31-17-5-3-4-6-17)13-18(20)19(25-26)11-14-7-8-15(22(27)28)12-21(14)30-2/h7-10,12-13,17H,3-6,11H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyUJNYNVXGEOYVOG-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.36
Rot. Bonds6

About 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid

4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid (PubChem CID 14626829) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid
PubChem CID14626829
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C23H25N3O5/c1-26-20-10-9-16(24-23(29)31-17-5-3-4-6-17)13-18(20)19(25-26)11-14-7-8-15(22(27)28)12-21(14)30-2/h7-10,12-13,17H,3-6,11H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyUJNYNVXGEOYVOG-UHFFFAOYSA-N
XLogP4.36
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid with MolForge

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Related Compounds

cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate
CID 14626867
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindazol-5-yl]carbamate
CID 14626868
cyclopentyl N-[3-[[4-[(2-chlorophenyl)sulfonylcarbamoyl]-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate
CID 14626869
cyclopentyl N-[3-[[4-[(2-bromophenyl)sulfonylcarbamoyl]-2-methoxyphenyl]methyl]-1-methylindazol-5-yl]carbamate
CID 14626870
4-[[5-[(2-cyclopentylacetyl)amino]-1-methylindazol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 14626871
4-((5-(((Cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoic acid
CID 11293119
4-(5-Cyclopentyloxycarbonylamino-1H-indol-3-ylmethyl)-3-methoxy-benzoic acid
CID 14626844
4-(5-Cyclopentyloxycarbonylamino-1-propyl-1H-indol-3-ylmethyl)-3-methoxy-benzoic acid
CID 14626845
4-[[5-(Cyclopentyloxycarbonylamino)-1-(cyclopropylmethyl)indol-3-yl]methyl]-3-methoxybenzoic acid
CID 14626847
4-[[1-Cyclopentyl-5-(cyclopentyloxycarbonylamino)indol-3-yl]methyl]-3-methoxybenzoic acid
CID 14626848
4-[6-(Cyclopentyloxycarbonyl)aminoindazol-1-ylmethyl]-3-methoxybenzoic acid
CID 14708751
4-[6-(2-Cyclopentyl-acetylamino)-indazol-1-ylmethyl]-3-methoxy-benzoic acid
CID 14708752

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid (CID 14626829) is 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12.
What is the InChIKey of 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid?
The InChIKey is UJNYNVXGEOYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-26-20-10-9-16(24-23(29)31-17-5-3-4-6-17)13-18(20)19(25-26)11-14-7-8-15(22(27)28)12-21(14)30-2/h7-10,12-13,17H,3-6,11H2,1-2H3,(H,24,29)(H,27,28).
What are the key properties of 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid?
4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid has a molecular weight of 423.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindazol-3-yl]methyl]-3-methoxybenzoic acid is sourced from PubChem (CID 14626829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).