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4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine

C26H29F2N7 — CID 159542737

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine
SMILESCCc1c(Cc2cc(-n3nc(C)c(CN4CC(F)C4)c3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C26H29F2N7/c1-5-22-24(32-33(4)26(22)18-6-8-19(27)9-7-18)10-21-11-25(30-15-29-21)35-17(3)23(16(2)31-35)14-34-12-20(28)13-34/h6-9,11,15,20H,5,10,12-14H2,1-4H3
InChIKeyMEKPQDWENMJHNP-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.13
Rot. Bonds7

About 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine

4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine (PubChem CID 159542737) has the molecular formula C26H29F2N7 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine
PubChem CID159542737
Molecular FormulaC26H29F2N7
Molecular Weight477.56 g/mol
Exact Mass477.25
IUPAC Name4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine
SMILESCCc1c(Cc2cc(-n3nc(C)c(CN4CC(F)C4)c3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C26H29F2N7/c1-5-22-24(32-33(4)26(22)18-6-8-19(27)9-7-18)10-21-11-25(30-15-29-21)35-17(3)23(16(2)31-35)14-34-12-20(28)13-34/h6-9,11,15,20H,5,10,12-14H2,1-4H3
InChIKeyMEKPQDWENMJHNP-UHFFFAOYSA-N
XLogP4.13
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine?
The IUPAC name of 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine (CID 159542737) is 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine is CCc1c(Cc2cc(-n3nc(C)c(CN4CC(F)C4)c3C)ncn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine?
The InChIKey is MEKPQDWENMJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7/c1-5-22-24(32-33(4)26(22)18-6-8-19(27)9-7-18)10-21-11-25(30-15-29-21)35-17(3)23(16(2)31-35)14-34-12-20(28)13-34/h6-9,11,15,20H,5,10,12-14H2,1-4H3.
What are the key properties of 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine?
4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine has a molecular weight of 477.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]-6-[4-[(3-fluoroazetidin-1-yl)methyl]-3,5-dimethylpyrazol-1-yl]pyrimidine is sourced from PubChem (CID 159542737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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