(5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone

C16H20N4O2 — CID 11536742

IUPAC(5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc2[nH]nc(C(=O)N3CC4CCC(C3)N4C)c2c1
InChIInChI=1S/C16H20N4O2/c1-19-10-3-4-11(19)9-20(8-10)16(21)15-13-7-12(22-2)5-6-14(13)17-18-15/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyLUVPJXVDJFYUOM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.49
Rot. Bonds2

About (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone

(5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 11536742) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID11536742
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc2[nH]nc(C(=O)N3CC4CCC(C3)N4C)c2c1
InChIInChI=1S/C16H20N4O2/c1-19-10-3-4-11(19)9-20(8-10)16(21)15-13-7-12(22-2)5-6-14(13)17-18-15/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyLUVPJXVDJFYUOM-UHFFFAOYSA-N
XLogP1.49
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone (CID 11536742) is (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone is COc1ccc2[nH]nc(C(=O)N3CC4CCC(C3)N4C)c2c1.
What is the InChIKey of (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is LUVPJXVDJFYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-10-3-4-11(19)9-20(8-10)16(21)15-13-7-12(22-2)5-6-14(13)17-18-15/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone?
(5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indazol-3-yl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 11536742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).