5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid

C27H34N2O6 — CID 170667688

IUPAC5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1cc(C(O)C(Cc2cc3cc(C4CC4)cc(C(=O)O)n3n2)OCC(C)C)cc(OC)c1C
InChIInChI=1S/C27H34N2O6/c1-15(2)14-35-25(26(30)19-10-23(33-4)16(3)24(11-19)34-5)13-20-12-21-8-18(17-6-7-17)9-22(27(31)32)29(21)28-20/h8-12,15,17,25-26,30H,6-7,13-14H2,1-5H3,(H,31,32)
InChIKeyQUJJWLIUURYYQG-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.55
Rot. Bonds11

About 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid

5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 170667688) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID170667688
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1cc(C(O)C(Cc2cc3cc(C4CC4)cc(C(=O)O)n3n2)OCC(C)C)cc(OC)c1C
InChIInChI=1S/C27H34N2O6/c1-15(2)14-35-25(26(30)19-10-23(33-4)16(3)24(11-19)34-5)13-20-12-21-8-18(17-6-7-17)9-22(27(31)32)29(21)28-20/h8-12,15,17,25-26,30H,6-7,13-14H2,1-5H3,(H,31,32)
InChIKeyQUJJWLIUURYYQG-UHFFFAOYSA-N
XLogP4.55
TPSA102.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid (CID 170667688) is 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid is COc1cc(C(O)C(Cc2cc3cc(C4CC4)cc(C(=O)O)n3n2)OCC(C)C)cc(OC)c1C.
What is the InChIKey of 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is QUJJWLIUURYYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-15(2)14-35-25(26(30)19-10-23(33-4)16(3)24(11-19)34-5)13-20-12-21-8-18(17-6-7-17)9-22(27(31)32)29(21)28-20/h8-12,15,17,25-26,30H,6-7,13-14H2,1-5H3,(H,31,32).
What are the key properties of 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid?
5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 482.58 g/mol, XLogP of 4.55, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]pyrazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 170667688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).