cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C23H27FN3O+ — CID 8710972

IUPACcyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C23H26FN3O/c1-17-6-5-9-22-25-20(14-23(28)27(17)22)16-26(21-7-3-2-4-8-21)15-18-10-12-19(24)13-11-18/h5-6,9-14,21H,2-4,7-8,15-16H2,1H3/p+1
InChIKeyCMFVJDNGUOJRKI-UHFFFAOYSA-O
MW380.49 g/mol
LogP3.06
Rot. Bonds5

About cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 8710972) has the molecular formula C23H27FN3O+ and a molecular weight of 380.49 g/mol. Its IUPAC name is cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID8710972
Molecular FormulaC23H27FN3O+
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namecyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C23H26FN3O/c1-17-6-5-9-22-25-20(14-23(28)27(17)22)16-26(21-7-3-2-4-8-21)15-18-10-12-19(24)13-11-18/h5-6,9-14,21H,2-4,7-8,15-16H2,1H3/p+1
InChIKeyCMFVJDNGUOJRKI-UHFFFAOYSA-O
XLogP3.06
TPSA38.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 8710972) is cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1cccc2nc(C[NH+](Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12.
What is the InChIKey of cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is CMFVJDNGUOJRKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26FN3O/c1-17-6-5-9-22-25-20(14-23(28)27(17)22)16-26(21-7-3-2-4-8-21)15-18-10-12-19(24)13-11-18/h5-6,9-14,21H,2-4,7-8,15-16H2,1H3/p+1.
What are the key properties of cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 380.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 8710972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).