N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine

C23H25FN6 — CID 134328263

IUPACN-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine
SMILESCCN(C)c1cccc(-c2n[nH]c3cnc(-c4c(C)cc(CNC)cc4F)cc23)n1
InChIInChI=1S/C23H25FN6/c1-5-30(4)21-8-6-7-18(27-21)23-16-11-19(26-13-20(16)28-29-23)22-14(2)9-15(12-25-3)10-17(22)24/h6-11,13,25H,5,12H2,1-4H3,(H,28,29)
InChIKeyRQGAJYRLQMZNOM-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.31
Rot. Bonds6

About N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine

N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine (PubChem CID 134328263) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine
PubChem CID134328263
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC NameN-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine
SMILESCCN(C)c1cccc(-c2n[nH]c3cnc(-c4c(C)cc(CNC)cc4F)cc23)n1
InChIInChI=1S/C23H25FN6/c1-5-30(4)21-8-6-7-18(27-21)23-16-11-19(26-13-20(16)28-29-23)22-14(2)9-15(12-25-3)10-17(22)24/h6-11,13,25H,5,12H2,1-4H3,(H,28,29)
InChIKeyRQGAJYRLQMZNOM-UHFFFAOYSA-N
XLogP4.31
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine (CID 134328263) is N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine is CCN(C)c1cccc(-c2n[nH]c3cnc(-c4c(C)cc(CNC)cc4F)cc23)n1.
What is the InChIKey of N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine?
The InChIKey is RQGAJYRLQMZNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-5-30(4)21-8-6-7-18(27-21)23-16-11-19(26-13-20(16)28-29-23)22-14(2)9-15(12-25-3)10-17(22)24/h6-11,13,25H,5,12H2,1-4H3,(H,28,29).
What are the key properties of N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine?
N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine has a molecular weight of 404.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 134328263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).