3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid

C20H23N3O2 — CID 20855090

IUPAC3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1C
InChIInChI=1S/C20H23N3O2/c1-11-6-7-16(10-12(11)2)23-20-19(15(5)22-23)13(3)17(14(4)21-20)8-9-18(24)25/h6-7,10H,8-9H2,1-5H3,(H,24,25)
InChIKeyUHNLJHNVMDOXDF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.98
Rot. Bonds4

About 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid (PubChem CID 20855090) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid
PubChem CID20855090
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1C
InChIInChI=1S/C20H23N3O2/c1-11-6-7-16(10-12(11)2)23-20-19(15(5)22-23)13(3)17(14(4)21-20)8-9-18(24)25/h6-7,10H,8-9H2,1-5H3,(H,24,25)
InChIKeyUHNLJHNVMDOXDF-UHFFFAOYSA-N
XLogP3.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131632913
CID 131632913
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CID 16227680
CID 16227680
CID 146036004
CID 146036004
CID 69673524
CID 69673524
CID 16012609
CID 16012609
CID 20855077
CID 20855077
CID 3163256
CID 3163256
CID 3243307
CID 3243307
CID 5308513
CID 5308513
CID 155569383
CID 155569383
CID 16020020
CID 16020020

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid (CID 20855090) is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1C.
What is the InChIKey of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The InChIKey is UHNLJHNVMDOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-11-6-7-16(10-12(11)2)23-20-19(15(5)22-23)13(3)17(14(4)21-20)8-9-18(24)25/h6-7,10H,8-9H2,1-5H3,(H,24,25).
What are the key properties of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid has a molecular weight of 337.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid is sourced from PubChem (CID 20855090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).