6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide

C26H31FN6O2 — CID 155407676

IUPAC6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide
SMILESCNC(=O)c1nc2cc(O)c(-c3ccc(N(C)C4C[C@]5(C)CCC[C@](C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C26H31FN6O2/c1-25-8-5-9-26(2,32-25)14-16(13-25)33(4)22-7-6-19(30-31-22)17-10-15-11-18(27)23(24(35)28-3)29-20(15)12-21(17)34/h6-7,10-12,16,32,34H,5,8-9,13-14H2,1-4H3,(H,28,35)/t16?,25-,26+
InChIKeyJUIMRTIBZFYQPI-FUXRKLIYSA-N
MW478.57 g/mol
LogP3.79
Rot. Bonds4

About 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide

6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide (PubChem CID 155407676) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide
PubChem CID155407676
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide
SMILESCNC(=O)c1nc2cc(O)c(-c3ccc(N(C)C4C[C@]5(C)CCC[C@](C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C26H31FN6O2/c1-25-8-5-9-26(2,32-25)14-16(13-25)33(4)22-7-6-19(30-31-22)17-10-15-11-18(27)23(24(35)28-3)29-20(15)12-21(17)34/h6-7,10-12,16,32,34H,5,8-9,13-14H2,1-4H3,(H,28,35)/t16?,25-,26+
InChIKeyJUIMRTIBZFYQPI-FUXRKLIYSA-N
XLogP3.79
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide?
The IUPAC name of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide (CID 155407676) is 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide?
The canonical SMILES for 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide is CNC(=O)c1nc2cc(O)c(-c3ccc(N(C)C4C[C@]5(C)CCC[C@](C)(C4)N5)nn3)cc2cc1F.
What is the InChIKey of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide?
The InChIKey is JUIMRTIBZFYQPI-FUXRKLIYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-25-8-5-9-26(2,32-25)14-16(13-25)33(4)22-7-6-19(30-31-22)17-10-15-11-18(27)23(24(35)28-3)29-20(15)12-21(17)34/h6-7,10-12,16,32,34H,5,8-9,13-14H2,1-4H3,(H,28,35)/t16?,25-,26+.
What are the key properties of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide?
6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 155407676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).