5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine

C20H19FN6O — CID 134328075

IUPAC5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)cc2c1C(N)CC2
InChIInChI=1S/C20H19FN6O/c1-27-9-11(7-24-27)19-12-6-15(23-8-16(12)25-26-19)18-13(21)5-10-3-4-14(22)17(10)20(18)28-2/h5-9,14H,3-4,22H2,1-2H3,(H,25,26)
InChIKeyDWWKNHFVNWLXQT-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.12
Rot. Bonds3

About 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 134328075) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine
PubChem CID134328075
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)cc2c1C(N)CC2
InChIInChI=1S/C20H19FN6O/c1-27-9-11(7-24-27)19-12-6-15(23-8-16(12)25-26-19)18-13(21)5-10-3-4-14(22)17(10)20(18)28-2/h5-9,14H,3-4,22H2,1-2H3,(H,25,26)
InChIKeyDWWKNHFVNWLXQT-UHFFFAOYSA-N
XLogP3.12
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine (CID 134328075) is 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine is COc1c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)cc2c1C(N)CC2.
What is the InChIKey of 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DWWKNHFVNWLXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-27-9-11(7-24-27)19-12-6-15(23-8-16(12)25-26-19)18-13(21)5-10-3-4-14(22)17(10)20(18)28-2/h5-9,14H,3-4,22H2,1-2H3,(H,25,26).
What are the key properties of 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 378.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134328075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).