7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane

C18H24N4O — CID 97451289

IUPAC7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
SMILESCn1ccnc1CN1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C18H24N4O/c1-21-10-7-20-17(21)14-22-8-4-18(5-9-22)11-16(12-18)23-15-3-2-6-19-13-15/h2-3,6-7,10,13,16H,4-5,8-9,11-12,14H2,1H3
InChIKeyCPPIJTFJSMQQKE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.64
Rot. Bonds4

About 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane

7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane (PubChem CID 97451289) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
PubChem CID97451289
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
SMILESCn1ccnc1CN1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C18H24N4O/c1-21-10-7-20-17(21)14-22-8-4-18(5-9-22)11-16(12-18)23-15-3-2-6-19-13-15/h2-3,6-7,10,13,16H,4-5,8-9,11-12,14H2,1H3
InChIKeyCPPIJTFJSMQQKE-UHFFFAOYSA-N
XLogP2.64
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane (CID 97451289) is 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane is Cn1ccnc1CN1CCC2(CC1)CC(Oc1cccnc1)C2.
What is the InChIKey of 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The InChIKey is CPPIJTFJSMQQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-10-7-20-17(21)14-22-8-4-18(5-9-22)11-16(12-18)23-15-3-2-6-19-13-15/h2-3,6-7,10,13,16H,4-5,8-9,11-12,14H2,1H3.
What are the key properties of 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane has a molecular weight of 312.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).