1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine

C20H21FN6 — CID 134327888

IUPAC1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(C)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H21FN6/c1-11-5-13(12(2)22-3)6-16(21)19(11)17-7-15-18(9-23-17)25-26-20(15)14-8-24-27(4)10-14/h5-10,12,22H,1-4H3,(H,25,26)
InChIKeyZGISJMLTGDSYRS-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.75
Rot. Bonds4

About 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine

1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine (PubChem CID 134327888) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine
PubChem CID134327888
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(C)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H21FN6/c1-11-5-13(12(2)22-3)6-16(21)19(11)17-7-15-18(9-23-17)25-26-20(15)14-8-24-27(4)10-14/h5-10,12,22H,1-4H3,(H,25,26)
InChIKeyZGISJMLTGDSYRS-UHFFFAOYSA-N
XLogP3.75
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine (CID 134327888) is 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine is CNC(C)c1cc(C)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
The InChIKey is ZGISJMLTGDSYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c1-11-5-13(12(2)22-3)6-16(21)19(11)17-7-15-18(9-23-17)25-26-20(15)14-8-24-27(4)10-14/h5-10,12,22H,1-4H3,(H,25,26).
What are the key properties of 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine has a molecular weight of 364.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine is sourced from PubChem (CID 134327888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).