2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid

C18H23N3O2 — CID 82586119

IUPAC2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid
SMILESCN1CCc2c(c(C(C)(C)c3ccccc3)nn2CC(=O)O)C1
InChIInChI=1S/C18H23N3O2/c1-18(2,13-7-5-4-6-8-13)17-14-11-20(3)10-9-15(14)21(19-17)12-16(22)23/h4-8H,9-12H2,1-3H3,(H,22,23)
InChIKeyIIRDXFSKEJVVMG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.28
Rot. Bonds4

About 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid

2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid (PubChem CID 82586119) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid
PubChem CID82586119
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid
SMILESCN1CCc2c(c(C(C)(C)c3ccccc3)nn2CC(=O)O)C1
InChIInChI=1S/C18H23N3O2/c1-18(2,13-7-5-4-6-8-13)17-14-11-20(3)10-9-15(14)21(19-17)12-16(22)23/h4-8H,9-12H2,1-3H3,(H,22,23)
InChIKeyIIRDXFSKEJVVMG-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid (CID 82586119) is 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid is CN1CCc2c(c(C(C)(C)c3ccccc3)nn2CC(=O)O)C1.
What is the InChIKey of 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
The InChIKey is IIRDXFSKEJVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,13-7-5-4-6-8-13)17-14-11-20(3)10-9-15(14)21(19-17)12-16(22)23/h4-8H,9-12H2,1-3H3,(H,22,23).
What are the key properties of 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid has a molecular weight of 313.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid is sourced from PubChem (CID 82586119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).