BXGCKOBKNKIBDC-UHFFFAOYSA-N

Name: BXGCKOBKNKIBDC-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₃₃FN₆O — CID 86710720

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

SMILESCOc1cc(-c2cnn(C)c2)cc(F)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1

InChIInChI=1S/C25H33FN6O/c1-24(2)12-18(13-25(3,4)30-24)32(6)22-9-8-20(28-29-22)23-19(26)10-16(11-21(23)33-7)17-14-27-31(5)15-17/h8-11,14-15,18,30H,12-13H2,1-7H3

InChIKeyBXGCKOBKNKIBDC-UHFFFAOYSA-N

MW452.58 g/mol

LogP4.44

Rot. Bonds5

About BXGCKOBKNKIBDC-UHFFFAOYSA-N

BXGCKOBKNKIBDC-UHFFFAOYSA-N (PubChem CID 86710720) has the molecular formula C₂₅H₃₃FN₆O and a molecular weight of 452.58 g/mol. Its IUPAC name is 6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name	BXGCKOBKNKIBDC-UHFFFAOYSA-N
PubChem CID	86710720
Molecular Formula	C₂₅H₃₃FN₆O
Molecular Weight	452.58 g/mol
Exact Mass	452.27
IUPAC Name	6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILES	COc1cc(-c2cnn(C)c2)cc(F)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChI	InChI=1S/C25H33FN6O/c1-24(2)12-18(13-25(3,4)30-24)32(6)22-9-8-20(28-29-22)23-19(26)10-16(11-21(23)33-7)17-14-27-31(5)15-17/h8-11,14-15,18,30H,12-13H2,1-7H3
InChIKey	BXGCKOBKNKIBDC-UHFFFAOYSA-N
XLogP	4.44
TPSA	68.10 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of BXGCKOBKNKIBDC-UHFFFAOYSA-N?

The IUPAC name of BXGCKOBKNKIBDC-UHFFFAOYSA-N (CID 86710720) is 6-[2-fluoro-6-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

What is the SMILES notation for BXGCKOBKNKIBDC-UHFFFAOYSA-N?

The canonical SMILES for BXGCKOBKNKIBDC-UHFFFAOYSA-N is COc1cc(-c2cnn(C)c2)cc(F)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.

What is the InChIKey of BXGCKOBKNKIBDC-UHFFFAOYSA-N?

The InChIKey is BXGCKOBKNKIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O/c1-24(2)12-18(13-25(3,4)30-24)32(6)22-9-8-20(28-29-22)23-19(26)10-16(11-21(23)33-7)17-14-27-31(5)15-17/h8-11,14-15,18,30H,12-13H2,1-7H3.

What are the key properties of BXGCKOBKNKIBDC-UHFFFAOYSA-N?

BXGCKOBKNKIBDC-UHFFFAOYSA-N has a molecular weight of 452.58 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for BXGCKOBKNKIBDC-UHFFFAOYSA-N is sourced from PubChem (CID 86710720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 86710720 — identifiers, structure, computed properties (public domain)

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