6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide

C26H30FN5O2 — CID 154598945

IUPAC6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-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)CC[C@](C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C26H30FN5O2/c1-25-7-8-26(2,31-25)14-17(13-25)32(4)23-6-5-21(29-30-23)19-10-15-11-20(27)18(24(34)28-3)9-16(15)12-22(19)33/h5-6,9-12,17,31,33H,7-8,13-14H2,1-4H3,(H,28,34)/t17?,25-,26+
InChIKeyFQAQWQABOSZCKN-SOMFESITSA-N
MW463.56 g/mol
LogP4.00
Rot. Bonds4

About 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide

6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 154598945) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide
PubChem CID154598945
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-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)CC[C@](C)(C4)N5)nn3)cc2cc1F
InChIInChI=1S/C26H30FN5O2/c1-25-7-8-26(2,31-25)14-17(13-25)32(4)23-6-5-21(29-30-23)19-10-15-11-20(27)18(24(34)28-3)9-16(15)12-22(19)33/h5-6,9-12,17,31,33H,7-8,13-14H2,1-4H3,(H,28,34)/t17?,25-,26+
InChIKeyFQAQWQABOSZCKN-SOMFESITSA-N
XLogP4.00
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-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-8-azabicyclo[3.2.1]octan-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-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide (CID 154598945) is 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-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-8-azabicyclo[3.2.1]octan-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-8-azabicyclo[3.2.1]octan-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)CC[C@](C)(C4)N5)nn3)cc2cc1F.
What is the InChIKey of 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is FQAQWQABOSZCKN-SOMFESITSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-25-7-8-26(2,31-25)14-17(13-25)32(4)23-6-5-21(29-30-23)19-10-15-11-20(27)18(24(34)28-3)9-16(15)12-22(19)33/h5-6,9-12,17,31,33H,7-8,13-14H2,1-4H3,(H,28,34)/t17?,25-,26+.
What are the key properties of 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide?
6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.00, 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-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 154598945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).