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

C20H20N4O2 — CID 110458889

IUPACmethyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1nc(-c2cccnc2)c2c1CCN(C)C2
InChIInChI=1S/C20H20N4O2/c1-23-11-9-18-16(13-23)19(14-6-5-10-21-12-14)22-24(18)17-8-4-3-7-15(17)20(25)26-2/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyITCVJBVHXDKJDP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.71
Rot. Bonds3

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

methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate (PubChem CID 110458889) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
PubChem CID110458889
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namemethyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1nc(-c2cccnc2)c2c1CCN(C)C2
InChIInChI=1S/C20H20N4O2/c1-23-11-9-18-16(13-23)19(14-6-5-10-21-12-14)22-24(18)17-8-4-3-7-15(17)20(25)26-2/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyITCVJBVHXDKJDP-UHFFFAOYSA-N
XLogP2.71
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
The IUPAC name of methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate (CID 110458889) is methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate.
What is the SMILES notation for methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
The canonical SMILES for methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate is COC(=O)c1ccccc1-n1nc(-c2cccnc2)c2c1CCN(C)C2.
What is the InChIKey of methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
The InChIKey is ITCVJBVHXDKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-11-9-18-16(13-23)19(14-6-5-10-21-12-14)22-24(18)17-8-4-3-7-15(17)20(25)26-2/h3-8,10,12H,9,11,13H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate?
methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate has a molecular weight of 348.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate is sourced from PubChem (CID 110458889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).