2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C22H25FN6O — CID 163350786

IUPAC2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CC1CCN(c2cc(=O)n3ccccc3n2)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C22H25FN6O/c1-27(22-20(23)21(16-5-6-16)24-14-25-22)13-15-7-10-28(11-8-15)18-12-19(30)29-9-3-2-4-17(29)26-18/h2-4,9,12,14-16H,5-8,10-11,13H2,1H3
InChIKeyBRMXQMGMMFQSIG-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 163350786) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID163350786
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CC1CCN(c2cc(=O)n3ccccc3n2)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C22H25FN6O/c1-27(22-20(23)21(16-5-6-16)24-14-25-22)13-15-7-10-28(11-8-15)18-12-19(30)29-9-3-2-4-17(29)26-18/h2-4,9,12,14-16H,5-8,10-11,13H2,1H3
InChIKeyBRMXQMGMMFQSIG-UHFFFAOYSA-N
XLogP2.85
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 163350786) is 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CN(CC1CCN(c2cc(=O)n3ccccc3n2)CC1)c1ncnc(C2CC2)c1F.
What is the InChIKey of 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BRMXQMGMMFQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-27(22-20(23)21(16-5-6-16)24-14-25-22)13-15-7-10-28(11-8-15)18-12-19(30)29-9-3-2-4-17(29)26-18/h2-4,9,12,14-16H,5-8,10-11,13H2,1H3.
What are the key properties of 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 408.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163350786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).