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

C25H31N3O7 — CID 167035789

IUPAC2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid
SMILESCOc1cc(C(=O)O)c2nn(CC(OC3CCCC3)C(O)c3cc(OC)c(C)c(OC)c3)cc2n1
InChIInChI=1S/C25H31N3O7/c1-14-19(32-2)9-15(10-20(14)33-3)24(29)21(35-16-7-5-6-8-16)13-28-12-18-23(27-28)17(25(30)31)11-22(26-18)34-4/h9-12,16,21,24,29H,5-8,13H2,1-4H3,(H,30,31)
InChIKeyNORGFHWORHCWHJ-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.53
Rot. Bonds10

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

2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid (PubChem CID 167035789) has the molecular formula C25H31N3O7 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid
PubChem CID167035789
Molecular FormulaC25H31N3O7
Molecular Weight485.54 g/mol
Exact Mass485.22
IUPAC Name2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid
SMILESCOc1cc(C(=O)O)c2nn(CC(OC3CCCC3)C(O)c3cc(OC)c(C)c(OC)c3)cc2n1
InChIInChI=1S/C25H31N3O7/c1-14-19(32-2)9-15(10-20(14)33-3)24(29)21(35-16-7-5-6-8-16)13-28-12-18-23(27-28)17(25(30)31)11-22(26-18)34-4/h9-12,16,21,24,29H,5-8,13H2,1-4H3,(H,30,31)
InChIKeyNORGFHWORHCWHJ-UHFFFAOYSA-N
XLogP3.53
TPSA125.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid (CID 167035789) is 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid is COc1cc(C(=O)O)c2nn(CC(OC3CCCC3)C(O)c3cc(OC)c(C)c(OC)c3)cc2n1.
What is the InChIKey of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid?
The InChIKey is NORGFHWORHCWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O7/c1-14-19(32-2)9-15(10-20(14)33-3)24(29)21(35-16-7-5-6-8-16)13-28-12-18-23(27-28)17(25(30)31)11-22(26-18)34-4/h9-12,16,21,24,29H,5-8,13H2,1-4H3,(H,30,31).
What are the key properties of 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid?
2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid has a molecular weight of 485.54 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-methoxypyrazolo[4,3-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 167035789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).