5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

C23H23FN4O2 — CID 146787917

IUPAC5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H23FN4O2/c1-16-13-22-27(11-2-12-28(22)26-16)23(30)10-9-21(29)14-20-8-5-18(15-25-20)17-3-6-19(24)7-4-17/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyRVGBZCMNZOOKTL-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.72
Rot. Bonds6

About 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (PubChem CID 146787917) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
PubChem CID146787917
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H23FN4O2/c1-16-13-22-27(11-2-12-28(22)26-16)23(30)10-9-21(29)14-20-8-5-18(15-25-20)17-3-6-19(24)7-4-17/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyRVGBZCMNZOOKTL-UHFFFAOYSA-N
XLogP3.72
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The IUPAC name of 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (CID 146787917) is 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The canonical SMILES for 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Cc1ccc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The InChIKey is RVGBZCMNZOOKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-13-22-27(11-2-12-28(22)26-16)23(30)10-9-21(29)14-20-8-5-18(15-25-20)17-3-6-19(24)7-4-17/h3-8,13,15H,2,9-12,14H2,1H3.
What are the key properties of 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione has a molecular weight of 406.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is sourced from PubChem (CID 146787917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).