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

C19H25N3O — CID 97451287

IUPAC7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
SMILESCn1cccc1CN1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C19H25N3O/c1-21-9-3-4-16(21)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-2-8-20-14-17/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3
InChIKeyIERXJCQMDFOSGJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.24
Rot. Bonds4

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

7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane (PubChem CID 97451287) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
PubChem CID97451287
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
SMILESCn1cccc1CN1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C19H25N3O/c1-21-9-3-4-16(21)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-2-8-20-14-17/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3
InChIKeyIERXJCQMDFOSGJ-UHFFFAOYSA-N
XLogP3.24
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane (CID 97451287) is 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane is Cn1cccc1CN1CCC2(CC1)CC(Oc1cccnc1)C2.
What is the InChIKey of 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
The InChIKey is IERXJCQMDFOSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21-9-3-4-16(21)15-22-10-6-19(7-11-22)12-18(13-19)23-17-5-2-8-20-14-17/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3.
What are the key properties of 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane?
7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane has a molecular weight of 311.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).