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

C27H32FN5O2 — CID 154598749

IUPAC6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2cc(O)c(-c3ccc(N(C)C4C[C@]5(C)CCC[C@](C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C27H32FN5O2/c1-26-8-5-9-27(2,32-26)15-18(14-26)33(4)24-7-6-22(30-31-24)20-11-16-12-21(28)19(25(35)29-3)10-17(16)13-23(20)34/h6-7,10-13,18,32,34H,5,8-9,14-15H2,1-4H3,(H,29,35)/t18?,26-,27+
InChIKeyCBRKAGCPSAKPLL-YZNDILABSA-N
MW477.58 g/mol
LogP4.39
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-methylnaphthalene-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-methylnaphthalene-2-carboxamide (PubChem CID 154598749) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 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-methylnaphthalene-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-methylnaphthalene-2-carboxamide
PubChem CID154598749
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
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-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2cc(O)c(-c3ccc(N(C)C4C[C@]5(C)CCC[C@](C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C27H32FN5O2/c1-26-8-5-9-27(2,32-26)15-18(14-26)33(4)24-7-6-22(30-31-24)20-11-16-12-21(28)19(25(35)29-3)10-17(16)13-23(20)34/h6-7,10-13,18,32,34H,5,8-9,14-15H2,1-4H3,(H,29,35)/t18?,26-,27+
InChIKeyCBRKAGCPSAKPLL-YZNDILABSA-N
XLogP4.39
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methylnaphthalene-2-carboxamide with MolForge

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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-methylnaphthalene-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-methylnaphthalene-2-carboxamide (CID 154598749) 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-methylnaphthalene-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-methylnaphthalene-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-methylnaphthalene-2-carboxamide is CNC(=O)c1cc2cc(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-methylnaphthalene-2-carboxamide?
The InChIKey is CBRKAGCPSAKPLL-YZNDILABSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-26-8-5-9-27(2,32-26)15-18(14-26)33(4)24-7-6-22(30-31-24)20-11-16-12-21(28)19(25(35)29-3)10-17(16)13-23(20)34/h6-7,10-13,18,32,34H,5,8-9,14-15H2,1-4H3,(H,29,35)/t18?,26-,27+.
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-methylnaphthalene-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-methylnaphthalene-2-carboxamide has a molecular weight of 477.58 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 154598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).