methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate

C22H19N5O3 — CID 66961824

IUPACmethyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(C(c2ccccn2)C(O)(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C22H19N5O3/c1-30-21(28)19-9-13-27(26-19)20(18-8-2-3-12-25-18)22(29,16-6-4-10-23-14-16)17-7-5-11-24-15-17/h2-15,20,29H,1H3
InChIKeyFDHMQQUYEBNDLS-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.38
Rot. Bonds6

About methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate

methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate (PubChem CID 66961824) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate
PubChem CID66961824
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Namemethyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(C(c2ccccn2)C(O)(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C22H19N5O3/c1-30-21(28)19-9-13-27(26-19)20(18-8-2-3-12-25-18)22(29,16-6-4-10-23-14-16)17-7-5-11-24-15-17/h2-15,20,29H,1H3
InChIKeyFDHMQQUYEBNDLS-UHFFFAOYSA-N
XLogP2.38
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate 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 methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate (CID 66961824) is methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate is COC(=O)c1ccn(C(c2ccccn2)C(O)(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate?
The InChIKey is FDHMQQUYEBNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-30-21(28)19-9-13-27(26-19)20(18-8-2-3-12-25-18)22(29,16-6-4-10-23-14-16)17-7-5-11-24-15-17/h2-15,20,29H,1H3.
What are the key properties of methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate?
methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate has a molecular weight of 401.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 66961824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).