(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H14ClF3N4O — CID 24811617

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H14ClF3N4O/c20-15-10-24-17-9-16(25-27(17)11-15)18(28)26-6-4-12(5-7-26)13-2-1-3-14(8-13)19(21,22)23/h1-4,8-11H,5-7H2
InChIKeyFMVGCUKNFVDQRI-UHFFFAOYSA-N
MW406.80 g/mol
LogP4.33
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 24811617) has the molecular formula C19H14ClF3N4O and a molecular weight of 406.80 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID24811617
Molecular FormulaC19H14ClF3N4O
Molecular Weight406.80 g/mol
Exact Mass406.08
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H14ClF3N4O/c20-15-10-24-17-9-16(25-27(17)11-15)18(28)26-6-4-12(5-7-26)13-2-1-3-14(8-13)19(21,22)23/h1-4,8-11H,5-7H2
InChIKeyFMVGCUKNFVDQRI-UHFFFAOYSA-N
XLogP4.33
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.80
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 59660657
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24811930
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 173146654
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24810847
2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 57336606
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416346
1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one
CID 15916641
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811824
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 67300824
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169573
(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 143619343
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 66846429

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 24811617) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is FMVGCUKNFVDQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O/c20-15-10-24-17-9-16(25-27(17)11-15)18(28)26-6-4-12(5-7-26)13-2-1-3-14(8-13)19(21,22)23/h1-4,8-11H,5-7H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 406.80 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 24811617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).