2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid

C18H19N3O3 — CID 171916329

IUPAC2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid
SMILESCCCn1ncc2nc(-c3ccccc3OCC(=O)O)cc(C)c21
InChIInChI=1S/C18H19N3O3/c1-3-8-21-18-12(2)9-14(20-15(18)10-19-21)13-6-4-5-7-16(13)24-11-17(22)23/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23)
InChIKeyTVRNSMHBFXQUGI-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.28
Rot. Bonds6

About 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid

2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid (PubChem CID 171916329) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid
PubChem CID171916329
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid
SMILESCCCn1ncc2nc(-c3ccccc3OCC(=O)O)cc(C)c21
InChIInChI=1S/C18H19N3O3/c1-3-8-21-18-12(2)9-14(20-15(18)10-19-21)13-6-4-5-7-16(13)24-11-17(22)23/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23)
InChIKeyTVRNSMHBFXQUGI-UHFFFAOYSA-N
XLogP3.28
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
CID 171913716
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170503416
4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 169419894
4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 169412894
4-[5-(4-methoxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170502990
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 171913184
4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170506831
2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CID 46779305
2-(2-naphthalen-2-ylphenoxy)acetic acid
CID 139923485
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid (CID 171916329) is 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid is CCCn1ncc2nc(-c3ccccc3OCC(=O)O)cc(C)c21.
What is the InChIKey of 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid?
The InChIKey is TVRNSMHBFXQUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-8-21-18-12(2)9-14(20-15(18)10-19-21)13-6-4-5-7-16(13)24-11-17(22)23/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid?
2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid has a molecular weight of 325.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 171916329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).