1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine

C19H19FN6O — CID 134327945

IUPAC1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1OC
InChIInChI=1S/C19H19FN6O/c1-21-7-11-4-5-14(20)17(19(11)27-3)15-6-13-16(9-22-15)24-25-18(13)12-8-23-26(2)10-12/h4-6,8-10,21H,7H2,1-3H3,(H,24,25)
InChIKeyXNUJEPMTNLESQJ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.89
Rot. Bonds5

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

1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (PubChem CID 134327945) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
PubChem CID134327945
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1OC
InChIInChI=1S/C19H19FN6O/c1-21-7-11-4-5-14(20)17(19(11)27-3)15-6-13-16(9-22-15)24-25-18(13)12-8-23-26(2)10-12/h4-6,8-10,21H,7H2,1-3H3,(H,24,25)
InChIKeyXNUJEPMTNLESQJ-UHFFFAOYSA-N
XLogP2.89
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (CID 134327945) is 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c1OC.
What is the InChIKey of 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is XNUJEPMTNLESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-21-7-11-4-5-14(20)17(19(11)27-3)15-6-13-16(9-22-15)24-25-18(13)12-8-23-26(2)10-12/h4-6,8-10,21H,7H2,1-3H3,(H,24,25).
What are the key properties of 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 366.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-methoxy-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 134327945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).