dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate

C25H26N2O5 — CID 18707076

IUPACdimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate
SMILESCOC(=O)C1=NN2C(c3ccc(C)cc3)C=CC(c3ccc(C)cc3)C2(C(=O)OC)C1O
InChIInChI=1S/C25H26N2O5/c1-15-5-9-17(10-6-15)19-13-14-20(18-11-7-16(2)8-12-18)27-25(19,24(30)32-4)22(28)21(26-27)23(29)31-3/h5-14,19-20,22,28H,1-4H3
InChIKeyUZXPNWPCJGUMLX-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.82
Rot. Bonds4

About dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate

dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate (PubChem CID 18707076) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate
PubChem CID18707076
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Namedimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate
SMILESCOC(=O)C1=NN2C(c3ccc(C)cc3)C=CC(c3ccc(C)cc3)C2(C(=O)OC)C1O
InChIInChI=1S/C25H26N2O5/c1-15-5-9-17(10-6-15)19-13-14-20(18-11-7-16(2)8-12-18)27-25(19,24(30)32-4)22(28)21(26-27)23(29)31-3/h5-14,19-20,22,28H,1-4H3
InChIKeyUZXPNWPCJGUMLX-UHFFFAOYSA-N
XLogP2.82
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate?
The IUPAC name of dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate (CID 18707076) is dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate.
What is the SMILES notation for dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate?
The canonical SMILES for dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate is COC(=O)C1=NN2C(c3ccc(C)cc3)C=CC(c3ccc(C)cc3)C2(C(=O)OC)C1O.
What is the InChIKey of dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate?
The InChIKey is UZXPNWPCJGUMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-15-5-9-17(10-6-15)19-13-14-20(18-11-7-16(2)8-12-18)27-25(19,24(30)32-4)22(28)21(26-27)23(29)31-3/h5-14,19-20,22,28H,1-4H3.
What are the key properties of dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate?
dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate has a molecular weight of 434.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-hydroxy-4,7-bis(4-methylphenyl)-4,7-dihydro-3H-pyrazolo[1,5-a]pyridine-2,3a-dicarboxylate is sourced from PubChem (CID 18707076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).