3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C24H23F2N5O2 — CID 71532819

IUPAC3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCN(CCO)C(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1
InChIInChI=1S/C24H23F2N5O2/c1-29(9-10-32)24(33)30-8-7-22-20(15-30)23(17-4-2-3-16(11-17)13-27)28-31(22)14-18-5-6-19(25)12-21(18)26/h2-6,11-12,32H,7-10,14-15H2,1H3
InChIKeyTZYVRDXWXAMDEF-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.15
Rot. Bonds5

About 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 71532819) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID71532819
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCN(CCO)C(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1
InChIInChI=1S/C24H23F2N5O2/c1-29(9-10-32)24(33)30-8-7-22-20(15-30)23(17-4-2-3-16(11-17)13-27)28-31(22)14-18-5-6-19(25)12-21(18)26/h2-6,11-12,32H,7-10,14-15H2,1H3
InChIKeyTZYVRDXWXAMDEF-UHFFFAOYSA-N
XLogP3.15
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 71532819) is 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CN(CCO)C(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1.
What is the InChIKey of 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is TZYVRDXWXAMDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-29(9-10-32)24(33)30-8-7-22-20(15-30)23(17-4-2-3-16(11-17)13-27)28-31(22)14-18-5-6-19(25)12-21(18)26/h2-6,11-12,32H,7-10,14-15H2,1H3.
What are the key properties of 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 71532819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).