2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one

C25H26FN5O — CID 118483091

IUPAC2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one
SMILESCn1c(N2CCC(N)CC2)nc(-c2ccc(F)cc2)c(-c2ccc3c(ccn3C)c2)c1=O
InChIInChI=1S/C25H26FN5O/c1-29-12-9-17-15-18(5-8-21(17)29)22-23(16-3-6-19(26)7-4-16)28-25(30(2)24(22)32)31-13-10-20(27)11-14-31/h3-9,12,15,20H,10-11,13-14,27H2,1-2H3
InChIKeyZVUNVFCSSASTTE-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one

2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one (PubChem CID 118483091) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one
PubChem CID118483091
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one
SMILESCn1c(N2CCC(N)CC2)nc(-c2ccc(F)cc2)c(-c2ccc3c(ccn3C)c2)c1=O
InChIInChI=1S/C25H26FN5O/c1-29-12-9-17-15-18(5-8-21(17)29)22-23(16-3-6-19(26)7-4-16)28-25(30(2)24(22)32)31-13-10-20(27)11-14-31/h3-9,12,15,20H,10-11,13-14,27H2,1-2H3
InChIKeyZVUNVFCSSASTTE-UHFFFAOYSA-N
XLogP3.67
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one (CID 118483091) is 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one is Cn1c(N2CCC(N)CC2)nc(-c2ccc(F)cc2)c(-c2ccc3c(ccn3C)c2)c1=O.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one?
The InChIKey is ZVUNVFCSSASTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-29-12-9-17-15-18(5-8-21(17)29)22-23(16-3-6-19(26)7-4-16)28-25(30(2)24(22)32)31-13-10-20(27)11-14-31/h3-9,12,15,20H,10-11,13-14,27H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one?
2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one has a molecular weight of 431.52 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-6-(4-fluorophenyl)-3-methyl-5-(1-methylindol-5-yl)pyrimidin-4-one is sourced from PubChem (CID 118483091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).