4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol

C25H28N6O — CID 167233262

IUPAC4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1nccc2c(N3CCC4(CCNC4)CC3)nc(-c3ccncc3)nc12
InChIInChI=1S/C25H28N6O/c1-24(2,32)7-3-20-21-19(6-13-28-20)23(30-22(29-21)18-4-11-26-12-5-18)31-15-9-25(10-16-31)8-14-27-17-25/h4-6,11-13,27,32H,8-10,14-17H2,1-2H3
InChIKeyMGFHADDFHCTENL-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.79
Rot. Bonds2

About 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol

4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol (PubChem CID 167233262) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol
PubChem CID167233262
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1nccc2c(N3CCC4(CCNC4)CC3)nc(-c3ccncc3)nc12
InChIInChI=1S/C25H28N6O/c1-24(2,32)7-3-20-21-19(6-13-28-20)23(30-22(29-21)18-4-11-26-12-5-18)31-15-9-25(10-16-31)8-14-27-17-25/h4-6,11-13,27,32H,8-10,14-17H2,1-2H3
InChIKeyMGFHADDFHCTENL-UHFFFAOYSA-N
XLogP2.79
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol with MolForge

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Related Compounds

4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
CID 170698655
4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-8-carbonitrile
CID 167233268
4-(2,8-diazaspiro[4.5]decan-8-yl)-7-oxido-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-7-ium
CID 170698623
N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide
CID 167232970
tert-butyl 8-(8-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233063
5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole
CID 167233261
2-[[6-(2,8-diazaspiro[4.5]decan-8-yl)-5-ethenyl-2-pyridin-4-ylpyrimidin-4-yl]methylideneamino]-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 167233148
4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 86716680
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
CID 167233200
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
CID 82169374
N-methylsulfanyl-1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanamine
CID 167233321

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol (CID 167233262) is 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1nccc2c(N3CCC4(CCNC4)CC3)nc(-c3ccncc3)nc12.
What is the InChIKey of 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is MGFHADDFHCTENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-24(2,32)7-3-20-21-19(6-13-28-20)23(30-22(29-21)18-4-11-26-12-5-18)31-15-9-25(10-16-31)8-14-27-17-25/h4-6,11-13,27,32H,8-10,14-17H2,1-2H3.
What are the key properties of 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol?
4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 428.54 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 167233262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).