2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H20F2N4O — CID 110215993

IUPAC2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCCN3Cc3cccc(F)c3F)cc2n1
InChIInChI=1S/C19H20F2N4O/c1-12-9-18(26)25-17(22-12)10-15(23-25)16-7-2-3-8-24(16)11-13-5-4-6-14(20)19(13)21/h4-6,9-10,16,23H,2-3,7-8,11H2,1H3
InChIKeyVHFMUQYMGJOINI-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110215993) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110215993
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCCN3Cc3cccc(F)c3F)cc2n1
InChIInChI=1S/C19H20F2N4O/c1-12-9-18(26)25-17(22-12)10-15(23-25)16-7-2-3-8-24(16)11-13-5-4-6-14(20)19(13)21/h4-6,9-10,16,23H,2-3,7-8,11H2,1H3
InChIKeyVHFMUQYMGJOINI-UHFFFAOYSA-N
XLogP3.34
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-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-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110215993) is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCCCN3Cc3cccc(F)c3F)cc2n1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VHFMUQYMGJOINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-12-9-18(26)25-17(22-12)10-15(23-25)16-7-2-3-8-24(16)11-13-5-4-6-14(20)19(13)21/h4-6,9-10,16,23H,2-3,7-8,11H2,1H3.
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 358.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110215993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).