6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde

C19H20F4N4O2 — CID 176681984

IUPAC6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
SMILESO=CN1CCN(Cc2c(C(F)(F)F)nc3ccc(F)cn3c2=O)C2(CCCC2)C1
InChIInChI=1S/C19H20F4N4O2/c20-13-3-4-15-24-16(19(21,22)23)14(17(29)27(15)9-13)10-26-8-7-25(12-28)11-18(26)5-1-2-6-18/h3-4,9,12H,1-2,5-8,10-11H2
InChIKeyYNNPVUKGMROYOX-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.44
Rot. Bonds3

About 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde

6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde (PubChem CID 176681984) has the molecular formula C19H20F4N4O2 and a molecular weight of 412.39 g/mol. Its IUPAC name is 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde.

Molecular Properties

Compound Name6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
PubChem CID176681984
Molecular FormulaC19H20F4N4O2
Molecular Weight412.39 g/mol
Exact Mass412.15
IUPAC Name6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
SMILESO=CN1CCN(Cc2c(C(F)(F)F)nc3ccc(F)cn3c2=O)C2(CCCC2)C1
InChIInChI=1S/C19H20F4N4O2/c20-13-3-4-15-24-16(19(21,22)23)14(17(29)27(15)9-13)10-26-8-7-25(12-28)11-18(26)5-1-2-6-18/h3-4,9,12H,1-2,5-8,10-11H2
InChIKeyYNNPVUKGMROYOX-UHFFFAOYSA-N
XLogP2.44
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde with MolForge

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Related Compounds

3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681608
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681614
6-[(7-Fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbonyl chloride
CID 176681781
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681889
6-[(7-Fluoro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde
CID 176681641
7-Fluoro-3-[(9-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681674

Frequently Asked Questions

What is the IUPAC name of 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde?
The IUPAC name of 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde (CID 176681984) is 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde.
What is the SMILES notation for 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde?
The canonical SMILES for 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde is O=CN1CCN(Cc2c(C(F)(F)F)nc3ccc(F)cn3c2=O)C2(CCCC2)C1.
What is the InChIKey of 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde?
The InChIKey is YNNPVUKGMROYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O2/c20-13-3-4-15-24-16(19(21,22)23)14(17(29)27(15)9-13)10-26-8-7-25(12-28)11-18(26)5-1-2-6-18/h3-4,9,12H,1-2,5-8,10-11H2.
What are the key properties of 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde?
6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde has a molecular weight of 412.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-fluoro-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carbaldehyde is sourced from PubChem (CID 176681984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).