2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid

C26H32N2O7 — CID 167035816

IUPAC2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid
SMILESCOc1cc(C(O)C(Cn2cc3c(OC)ccc(C(=O)O)c3n2)OC2CCCC2)cc(OC)c1C
InChIInChI=1S/C26H32N2O7/c1-15-21(33-3)11-16(12-22(15)34-4)25(29)23(35-17-7-5-6-8-17)14-28-13-19-20(32-2)10-9-18(26(30)31)24(19)27-28/h9-13,17,23,25,29H,5-8,14H2,1-4H3,(H,30,31)
InChIKeyJRXDZTCEEMSCHN-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.13
Rot. Bonds10

About 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid

2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid (PubChem CID 167035816) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid
PubChem CID167035816
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid
SMILESCOc1cc(C(O)C(Cn2cc3c(OC)ccc(C(=O)O)c3n2)OC2CCCC2)cc(OC)c1C
InChIInChI=1S/C26H32N2O7/c1-15-21(33-3)11-16(12-22(15)34-4)25(29)23(35-17-7-5-6-8-17)14-28-13-19-20(32-2)10-9-18(26(30)31)24(19)27-28/h9-13,17,23,25,29H,5-8,14H2,1-4H3,(H,30,31)
InChIKeyJRXDZTCEEMSCHN-UHFFFAOYSA-N
XLogP4.13
TPSA112.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid
CID 167035789
2-[(2S,3R)-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-7-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 167035736
2-[(2S,3R)-3-(2-chloro-5-methoxy-4-methylphenyl)-2-cyclopentyloxy-3-hydroxypropyl]pyrazolo[4,3-b]pyridine-7-carboxylic acid
CID 167036089
2-[(2S,3R)-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-1,3-benzothiazole-4-carboxylic acid
CID 167035962
2-[(2S,3R)-3-(2-chloro-3-methoxy-4-methylphenyl)-2-cyclopentyloxy-3-hydroxypropyl]pyrazolo[4,3-b]pyridine-7-carboxylic acid
CID 167036091
3-[(2S,3R)-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]benzotriazole-4-carboxylic acid
CID 170667574
2-[2-[2-[3-[[5-[2-[3-[[5-[3-(7-carboxy-4-cyanoindazol-2-yl)-2-cyclopentyloxy-1-hydroxypropyl]-3-methoxy-2-methylphenoxy]methyl]cyclopentyl]oxy-3-(7-cyanoindazol-2-yl)-1-hydroxypropyl]-3-methoxy-2-methylphenoxy]methyl]phenyl]ethoxy]-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]pyrazolo[4,3-b]pyridine-7-carboxylic acid
CID 167036395
2-[(2S,3R)-2-cyclopentyloxy-3-hydroxy-3-[4-methyl-3-(trifluoromethoxy)phenyl]propyl]indazole-7-carboxylic acid
CID 167036194
2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-7-fluoro-6-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 170667605
2-[(2S,3R)-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-6-cyclopropyl-1,3-benzothiazole-4-carboxylic acid
CID 170667695
2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid
CID 167035819
2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-6-(dimethylamino)-1,3-benzothiazole-4-carboxylic acid
CID 170266695

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid?
The IUPAC name of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid (CID 167035816) is 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid.
What is the SMILES notation for 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid?
The canonical SMILES for 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid is COc1cc(C(O)C(Cn2cc3c(OC)ccc(C(=O)O)c3n2)OC2CCCC2)cc(OC)c1C.
What is the InChIKey of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid?
The InChIKey is JRXDZTCEEMSCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-15-21(33-3)11-16(12-22(15)34-4)25(29)23(35-17-7-5-6-8-17)14-28-13-19-20(32-2)10-9-18(26(30)31)24(19)27-28/h9-13,17,23,25,29H,5-8,14H2,1-4H3,(H,30,31).
What are the key properties of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid?
2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid has a molecular weight of 484.55 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid is sourced from PubChem (CID 167035816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).