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

C20H19FN6 — CID 175820258

IUPAC1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCn1cc(-c2n[nH]c3cnc(-c4cccc5c4CCCC5(N)F)cc23)cn1
InChIInChI=1S/C20H19FN6/c1-27-11-12(9-24-27)19-15-8-17(23-10-18(15)25-26-19)14-4-2-6-16-13(14)5-3-7-20(16,21)22/h2,4,6,8-11H,3,5,7,22H2,1H3,(H,25,26)
InChIKeyYIABICKGOIBMEF-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.44
Rot. Bonds2

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

1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 175820258) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID175820258
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCn1cc(-c2n[nH]c3cnc(-c4cccc5c4CCCC5(N)F)cc23)cn1
InChIInChI=1S/C20H19FN6/c1-27-11-12(9-24-27)19-15-8-17(23-10-18(15)25-26-19)14-4-2-6-16-13(14)5-3-7-20(16,21)22/h2,4,6,8-11H,3,5,7,22H2,1H3,(H,25,26)
InChIKeyYIABICKGOIBMEF-UHFFFAOYSA-N
XLogP3.44
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine (CID 175820258) is 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine is Cn1cc(-c2n[nH]c3cnc(-c4cccc5c4CCCC5(N)F)cc23)cn1.
What is the InChIKey of 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is YIABICKGOIBMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-27-11-12(9-24-27)19-15-8-17(23-10-18(15)25-26-19)14-4-2-6-16-13(14)5-3-7-20(16,21)22/h2,4,6,8-11H,3,5,7,22H2,1H3,(H,25,26).
What are the key properties of 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine?
1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 362.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 175820258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).