2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile

C25H20FN7 — CID 134327828

IUPAC2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile
SMILESCNCc1cc(C)c(-c2cc3c(-c4cnn(-c5ccccc5C#N)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C25H20FN7/c1-15-7-16(11-28-2)8-20(26)24(15)21-9-19-22(13-29-21)31-32-25(19)18-12-30-33(14-18)23-6-4-3-5-17(23)10-27/h3-9,12-14,28H,11H2,1-2H3,(H,31,32)
InChIKeyVSDVDPIAXSUAFU-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.52
Rot. Bonds5

About 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile

2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile (PubChem CID 134327828) has the molecular formula C25H20FN7 and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile
PubChem CID134327828
Molecular FormulaC25H20FN7
Molecular Weight437.48 g/mol
Exact Mass437.18
IUPAC Name2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile
SMILESCNCc1cc(C)c(-c2cc3c(-c4cnn(-c5ccccc5C#N)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C25H20FN7/c1-15-7-16(11-28-2)8-20(26)24(15)21-9-19-22(13-29-21)31-32-25(19)18-12-30-33(14-18)23-6-4-3-5-17(23)10-27/h3-9,12-14,28H,11H2,1-2H3,(H,31,32)
InChIKeyVSDVDPIAXSUAFU-UHFFFAOYSA-N
XLogP4.52
TPSA95.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-{5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl}-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 135438541
3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-1H-indazole-6-carbonitrile
CID 135525556
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 142509033
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166728012
(5R)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 167269968

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile (CID 134327828) is 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile is CNCc1cc(C)c(-c2cc3c(-c4cnn(-c5ccccc5C#N)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile?
The InChIKey is VSDVDPIAXSUAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7/c1-15-7-16(11-28-2)8-20(26)24(15)21-9-19-22(13-29-21)31-32-25(19)18-12-30-33(14-18)23-6-4-3-5-17(23)10-27/h3-9,12-14,28H,11H2,1-2H3,(H,31,32).
What are the key properties of 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile?
2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile has a molecular weight of 437.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 134327828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).