6-[6-[(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 154598941

IUPAC6-[6-[(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(NCC4CC5(C)CCCC(C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C27H32FN5O2/c1-26-7-4-8-27(2,33-26)14-16(13-26)15-30-24-6-5-22(31-32-24)20-10-17-11-21(28)19(25(35)29-3)9-18(17)12-23(20)34/h5-6,9-12,16,33-34H,4,7-8,13-15H2,1-3H3,(H,29,35)(H,30,32)
InChIKeySORCEIIKWVWEIT-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.61
Rot. Bonds5

About 6-[6-[(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-[(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 154598941) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 6-[6-[(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-[(1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide
PubChem CID154598941
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC Name6-[6-[(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(NCC4CC5(C)CCCC(C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C27H32FN5O2/c1-26-7-4-8-27(2,33-26)14-16(13-26)15-30-24-6-5-22(31-32-24)20-10-17-11-21(28)19(25(35)29-3)9-18(17)12-23(20)34/h5-6,9-12,16,33-34H,4,7-8,13-15H2,1-3H3,(H,29,35)(H,30,32)
InChIKeySORCEIIKWVWEIT-UHFFFAOYSA-N
XLogP4.61
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(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-[(1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide (CID 154598941) is 6-[6-[(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-[(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-[(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(NCC4CC5(C)CCCC(C)(C4)N5)nn3)cc2cc1F.
What is the InChIKey of 6-[6-[(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 SORCEIIKWVWEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-26-7-4-8-27(2,33-26)14-16(13-26)15-30-24-6-5-22(31-32-24)20-10-17-11-21(28)19(25(35)29-3)9-18(17)12-23(20)34/h5-6,9-12,16,33-34H,4,7-8,13-15H2,1-3H3,(H,29,35)(H,30,32).
What are the key properties of 6-[6-[(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-[(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 4.61, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(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 154598941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).