3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane

C22H24N4O2 — CID 78324047

IUPAC3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1(Oc2ccc3[nH]nc(-c4ccnc(N5CC6CCC(C5)O6)c4)c3c2)CC1
InChIInChI=1S/C22H24N4O2/c1-22(7-8-22)28-15-4-5-19-18(11-15)21(25-24-19)14-6-9-23-20(10-14)26-12-16-2-3-17(13-26)27-16/h4-6,9-11,16-17H,2-3,7-8,12-13H2,1H3,(H,24,25)
InChIKeyRPHDJBCESBFDAX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.92
Rot. Bonds4

About 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 78324047) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID78324047
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1(Oc2ccc3[nH]nc(-c4ccnc(N5CC6CCC(C5)O6)c4)c3c2)CC1
InChIInChI=1S/C22H24N4O2/c1-22(7-8-22)28-15-4-5-19-18(11-15)21(25-24-19)14-6-9-23-20(10-14)26-12-16-2-3-17(13-26)27-16/h4-6,9-11,16-17H,2-3,7-8,12-13H2,1H3,(H,24,25)
InChIKeyRPHDJBCESBFDAX-UHFFFAOYSA-N
XLogP3.92
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 78324047) is 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane is CC1(Oc2ccc3[nH]nc(-c4ccnc(N5CC6CCC(C5)O6)c4)c3c2)CC1.
What is the InChIKey of 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is RPHDJBCESBFDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(7-8-22)28-15-4-5-19-18(11-15)21(25-24-19)14-6-9-23-20(10-14)26-12-16-2-3-17(13-26)27-16/h4-6,9-11,16-17H,2-3,7-8,12-13H2,1H3,(H,24,25).
What are the key properties of 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 376.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 78324047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).