6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide

C26H25N5O2 — CID 146503240

IUPAC6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)c4ncccc4c3)cn2)n1
InChIInChI=1S/C26H25N5O2/c1-31-8-6-23(30-31)22-5-4-17(14-28-22)9-18-10-19-3-2-7-27-24(19)21(11-18)25(32)29-20-12-26(13-20)15-33-16-26/h2-8,10-11,14,20H,9,12-13,15-16H2,1H3,(H,29,32)
InChIKeyGAAGEAOFKQTMBJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.53
Rot. Bonds5

About 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide

6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide (PubChem CID 146503240) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide
PubChem CID146503240
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)c4ncccc4c3)cn2)n1
InChIInChI=1S/C26H25N5O2/c1-31-8-6-23(30-31)22-5-4-17(14-28-22)9-18-10-19-3-2-7-27-24(19)21(11-18)25(32)29-20-12-26(13-20)15-33-16-26/h2-8,10-11,14,20H,9,12-13,15-16H2,1H3,(H,29,32)
InChIKeyGAAGEAOFKQTMBJ-UHFFFAOYSA-N
XLogP3.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide
CID 151387051
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide
CID 146503242
N-[(1S,2S)-2-hydroxycyclobutyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 148695470
N-[(1S,2S)-2-hydroxycyclopentyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 153160749
2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 137404563
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
CID 137430754
1-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 150375428
6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
CID 131962943
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
6-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-carboxylate
CID 153488462
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide?
The IUPAC name of 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide (CID 146503240) is 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide.
What is the SMILES notation for 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide?
The canonical SMILES for 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide is Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)c4ncccc4c3)cn2)n1.
What is the InChIKey of 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide?
The InChIKey is GAAGEAOFKQTMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-31-8-6-23(30-31)22-5-4-17(14-28-22)9-18-10-19-3-2-7-27-24(19)21(11-18)25(32)29-20-12-26(13-20)15-33-16-26/h2-8,10-11,14,20H,9,12-13,15-16H2,1H3,(H,29,32).
What are the key properties of 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide?
6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide is sourced from PubChem (CID 146503240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).