[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C19H15FN6O — CID 31161481

IUPAC[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn2cccnc2n1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H15FN6O/c20-13-4-2-12(3-5-13)17-14-10-25(9-6-15(14)23-24-17)18(27)16-11-26-8-1-7-21-19(26)22-16/h1-5,7-8,11H,6,9-10H2,(H,23,24)
InChIKeyQZRGJAXZYFFLCL-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.46
Rot. Bonds2

About [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 31161481) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID31161481
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn2cccnc2n1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H15FN6O/c20-13-4-2-12(3-5-13)17-14-10-25(9-6-15(14)23-24-17)18(27)16-11-26-8-1-7-21-19(26)22-16/h1-5,7-8,11H,6,9-10H2,(H,23,24)
InChIKeyQZRGJAXZYFFLCL-UHFFFAOYSA-N
XLogP2.46
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53185495
(2-chloro-4-pyridinyl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46999373
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
(3-hydroxy-2-pyridinyl)-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 56870256
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 108725845
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 53185513
furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
(4-phenyl-1H-imidazol-5-yl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56754225
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 31161481) is [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is O=C(c1cn2cccnc2n1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is QZRGJAXZYFFLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-13-4-2-12(3-5-13)17-14-10-25(9-6-15(14)23-24-17)18(27)16-11-26-8-1-7-21-19(26)22-16/h1-5,7-8,11H,6,9-10H2,(H,23,24).
What are the key properties of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 362.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 31161481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).