2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile

C25H20FN7 — CID 118481970

IUPAC2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2nccc3nn(Cc4ccc(Cn5cccn5)cc4)cc23)cc1F
InChIInChI=1S/C25H20FN7/c26-23-12-20(6-7-21(23)13-27)14-29-25-22-17-33(31-24(22)8-10-28-25)16-19-4-2-18(3-5-19)15-32-11-1-9-30-32/h1-12,17H,14-16H2,(H,28,29)
InChIKeyWSLIYWCFDMZBON-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.35
Rot. Bonds7

About 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile

2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile (PubChem CID 118481970) has the molecular formula C25H20FN7 and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile
PubChem CID118481970
Molecular FormulaC25H20FN7
Molecular Weight437.48 g/mol
Exact Mass437.18
IUPAC Name2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2nccc3nn(Cc4ccc(Cn5cccn5)cc4)cc23)cc1F
InChIInChI=1S/C25H20FN7/c26-23-12-20(6-7-21(23)13-27)14-29-25-22-17-33(31-24(22)8-10-28-25)16-19-4-2-18(3-5-19)15-32-11-1-9-30-32/h1-12,17H,14-16H2,(H,28,29)
InChIKeyWSLIYWCFDMZBON-UHFFFAOYSA-N
XLogP4.35
TPSA84.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118482526
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118482444
N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482532
3-amino-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonitrile
CID 118482125
N-[(4-chloro-3-methoxyphenyl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482344
6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118489030
2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482168
6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482158
2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118508633
N-[(2-fluoro-3,6-dimethoxyphenyl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482100
4-[(4-ethylpyrazol-1-yl)methyl]-2-fluorobenzonitrile
CID 172608047
2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 51091666

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile (CID 118481970) is 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile is N#Cc1ccc(CNc2nccc3nn(Cc4ccc(Cn5cccn5)cc4)cc23)cc1F.
What is the InChIKey of 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile?
The InChIKey is WSLIYWCFDMZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7/c26-23-12-20(6-7-21(23)13-27)14-29-25-22-17-33(31-24(22)8-10-28-25)16-19-4-2-18(3-5-19)15-32-11-1-9-30-32/h1-12,17H,14-16H2,(H,28,29).
What are the key properties of 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile?
2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile has a molecular weight of 437.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 118481970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).