3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid

C19H21N3O2 — CID 16771359

IUPAC3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1
InChIInChI=1S/C19H21N3O2/c1-11-5-7-15(8-6-11)22-19-18(14(4)21-22)12(2)16(13(3)20-19)9-10-17(23)24/h5-8H,9-10H2,1-4H3,(H,23,24)
InChIKeyIPTLOKISWIMWAH-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.67
Rot. Bonds4

About 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid

3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid (PubChem CID 16771359) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid
PubChem CID16771359
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1
InChIInChI=1S/C19H21N3O2/c1-11-5-7-15(8-6-11)22-19-18(14(4)21-22)12(2)16(13(3)20-19)9-10-17(23)24/h5-8H,9-10H2,1-4H3,(H,23,24)
InChIKeyIPTLOKISWIMWAH-UHFFFAOYSA-N
XLogP3.67
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The IUPAC name of 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid (CID 16771359) is 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid.
What is the SMILES notation for 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The canonical SMILES for 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1.
What is the InChIKey of 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The InChIKey is IPTLOKISWIMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-5-7-15(8-6-11)22-19-18(14(4)21-22)12(2)16(13(3)20-19)9-10-17(23)24/h5-8H,9-10H2,1-4H3,(H,23,24).
What are the key properties of 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid has a molecular weight of 323.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoic acid is sourced from PubChem (CID 16771359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).