2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine

C19H18F2N6 — CID 134327766

IUPAC2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1F
InChIInChI=1S/C19H18F2N6/c1-22-6-5-11-3-4-14(20)17(18(11)21)15-7-13-16(9-23-15)25-26-19(13)12-8-24-27(2)10-12/h3-4,7-10,22H,5-6H2,1-2H3,(H,25,26)
InChIKeyNJTUUSFLGIPMHY-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.07
Rot. Bonds5

About 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine

2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine (PubChem CID 134327766) has the molecular formula C19H18F2N6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine
PubChem CID134327766
Molecular FormulaC19H18F2N6
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC Name2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1F
InChIInChI=1S/C19H18F2N6/c1-22-6-5-11-3-4-14(20)17(18(11)21)15-7-13-16(9-23-15)25-26-19(13)12-8-24-27(2)10-12/h3-4,7-10,22H,5-6H2,1-2H3,(H,25,26)
InChIKeyNJTUUSFLGIPMHY-UHFFFAOYSA-N
XLogP3.07
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine (CID 134327766) is 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine is CNCCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1F.
What is the InChIKey of 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
The InChIKey is NJTUUSFLGIPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6/c1-22-6-5-11-3-4-14(20)17(18(11)21)15-7-13-16(9-23-15)25-26-19(13)12-8-24-27(2)10-12/h3-4,7-10,22H,5-6H2,1-2H3,(H,25,26).
What are the key properties of 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine?
2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine has a molecular weight of 368.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylethanamine is sourced from PubChem (CID 134327766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).