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

C22H19F2N5O — CID 71532759

IUPAC3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1
InChIInChI=1S/C22H19F2N5O/c1-26-22(30)28-8-7-20-18(13-28)21(15-4-2-3-14(9-15)11-25)27-29(20)12-16-5-6-17(23)10-19(16)24/h2-6,9-10H,7-8,12-13H2,1H3,(H,26,30)
InChIKeyGQGNJNVIHSKGAN-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.45
Rot. Bonds3

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

3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 71532759) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-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-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID71532759
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Name3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1
InChIInChI=1S/C22H19F2N5O/c1-26-22(30)28-8-7-20-18(13-28)21(15-4-2-3-14(9-15)11-25)27-29(20)12-16-5-6-17(23)10-19(16)24/h2-6,9-10H,7-8,12-13H2,1H3,(H,26,30)
InChIKeyGQGNJNVIHSKGAN-UHFFFAOYSA-N
XLogP3.45
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-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-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 71532759) is 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-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-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-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=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-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is GQGNJNVIHSKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-26-22(30)28-8-7-20-18(13-28)21(15-4-2-3-14(9-15)11-25)27-29(20)12-16-5-6-17(23)10-19(16)24/h2-6,9-10H,7-8,12-13H2,1H3,(H,26,30).
What are the key properties of 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-1-[(2,4-difluorophenyl)methyl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 71532759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).