(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

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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).