6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane

C23H28N4O4 — CID 170762898

IUPAC6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESc1nc(-c2cn(CC3OCC4(CC4)CO3)cn2)c(OC2CC2)cc1N1CC2(COC2)C1
InChIInChI=1S/C23H28N4O4/c1-2-17(1)31-19-5-16(27-9-23(10-27)11-28-12-23)6-24-21(19)18-7-26(15-25-18)8-20-29-13-22(3-4-22)14-30-20/h5-7,15,17,20H,1-4,8-14H2
InChIKeyLEZYPJIUOQWHBD-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.48
Rot. Bonds6

About 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane

6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 170762898) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID170762898
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESc1nc(-c2cn(CC3OCC4(CC4)CO3)cn2)c(OC2CC2)cc1N1CC2(COC2)C1
InChIInChI=1S/C23H28N4O4/c1-2-17(1)31-19-5-16(27-9-23(10-27)11-28-12-23)6-24-21(19)18-7-26(15-25-18)8-20-29-13-22(3-4-22)14-30-20/h5-7,15,17,20H,1-4,8-14H2
InChIKeyLEZYPJIUOQWHBD-UHFFFAOYSA-N
XLogP2.48
TPSA70.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane (CID 170762898) is 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane is c1nc(-c2cn(CC3OCC4(CC4)CO3)cn2)c(OC2CC2)cc1N1CC2(COC2)C1.
What is the InChIKey of 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is LEZYPJIUOQWHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-2-17(1)31-19-5-16(27-9-23(10-27)11-28-12-23)6-24-21(19)18-7-26(15-25-18)8-20-29-13-22(3-4-22)14-30-20/h5-7,15,17,20H,1-4,8-14H2.
What are the key properties of 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 424.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 170762898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).