1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one

C22H25N5O — CID 159638951

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
SMILESCn1cc(-c2ccc3cnc(CC(=O)CN4CCC5(CC4)CC5)cc3n2)cn1
InChIInChI=1S/C22H25N5O/c1-26-14-17(13-24-26)20-3-2-16-12-23-18(11-21(16)25-20)10-19(28)15-27-8-6-22(4-5-22)7-9-27/h2-3,11-14H,4-10,15H2,1H3
InChIKeyMQCHIBBZVXAEIK-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.02
Rot. Bonds5

About 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one

1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one (PubChem CID 159638951) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
PubChem CID159638951
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
SMILESCn1cc(-c2ccc3cnc(CC(=O)CN4CCC5(CC4)CC5)cc3n2)cn1
InChIInChI=1S/C22H25N5O/c1-26-14-17(13-24-26)20-3-2-16-12-23-18(11-21(16)25-20)10-19(28)15-27-8-6-22(4-5-22)7-9-27/h2-3,11-14H,4-10,15H2,1H3
InChIKeyMQCHIBBZVXAEIK-UHFFFAOYSA-N
XLogP3.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one (CID 159638951) is 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one is Cn1cc(-c2ccc3cnc(CC(=O)CN4CCC5(CC4)CC5)cc3n2)cn1.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one?
The InChIKey is MQCHIBBZVXAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-14-17(13-24-26)20-3-2-16-12-23-18(11-21(16)25-20)10-19(28)15-27-8-6-22(4-5-22)7-9-27/h2-3,11-14H,4-10,15H2,1H3.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one?
1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one is sourced from PubChem (CID 159638951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).