7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H21ClFN5O — CID 56571153

IUPAC7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C22H21ClFN5O/c1-28(14-19-12-22(30)29-13-16(23)6-9-21(29)25-19)10-2-3-18-11-20(27-26-18)15-4-7-17(24)8-5-15/h4-9,11-13H,2-3,10,14H2,1H3,(H,26,27)
InChIKeyFYSRDVMYBMFCHZ-UHFFFAOYSA-N
MW425.90 g/mol
LogP3.94
Rot. Bonds7

About 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56571153) has the molecular formula C22H21ClFN5O and a molecular weight of 425.90 g/mol. Its IUPAC name is 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56571153
Molecular FormulaC22H21ClFN5O
Molecular Weight425.90 g/mol
Exact Mass425.14
IUPAC Name7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C22H21ClFN5O/c1-28(14-19-12-22(30)29-13-16(23)6-9-21(29)25-19)10-2-3-18-11-20(27-26-18)15-4-7-17(24)8-5-15/h4-9,11-13H,2-3,10,14H2,1H3,(H,26,27)
InChIKeyFYSRDVMYBMFCHZ-UHFFFAOYSA-N
XLogP3.94
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56571153) is 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FYSRDVMYBMFCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O/c1-28(14-19-12-22(30)29-13-16(23)6-9-21(29)25-19)10-2-3-18-11-20(27-26-18)15-4-7-17(24)8-5-15/h4-9,11-13H,2-3,10,14H2,1H3,(H,26,27).
What are the key properties of 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 425.90 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56571153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).