[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone

C15H18N4O — CID 72696126

IUPAC[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C15H18N4O/c20-15(12-1-2-13-7-17-18-14(13)4-12)19-8-10-3-11(9-19)6-16-5-10/h1-2,4,7,10-11,16H,3,5-6,8-9H2,(H,17,18)/t10-,11+
InChIKeyRQYFGKBYTUNFII-PHIMTYICSA-N
MW270.34 g/mol
LogP1.24
Rot. Bonds1

About [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone

[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone (PubChem CID 72696126) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone
PubChem CID72696126
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C15H18N4O/c20-15(12-1-2-13-7-17-18-14(13)4-12)19-8-10-3-11(9-19)6-16-5-10/h1-2,4,7,10-11,16H,3,5-6,8-9H2,(H,17,18)/t10-,11+
InChIKeyRQYFGKBYTUNFII-PHIMTYICSA-N
XLogP1.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone?
The IUPAC name of [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone (CID 72696126) is [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone.
What is the SMILES notation for [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone?
The canonical SMILES for [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone is O=C(c1ccc2cn[nH]c2c1)N1C[C@@H]2CNC[C@@H](C2)C1.
What is the InChIKey of [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone?
The InChIKey is RQYFGKBYTUNFII-PHIMTYICSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(12-1-2-13-7-17-18-14(13)4-12)19-8-10-3-11(9-19)6-16-5-10/h1-2,4,7,10-11,16H,3,5-6,8-9H2,(H,17,18)/t10-,11+.
What are the key properties of [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone?
[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indazol-6-yl)methanone is sourced from PubChem (CID 72696126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).