5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine

C19H22FN5 — CID 110132670

IUPAC5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C3CCN(Cc4ccc(F)cn4)CC3)cc(C)n2n1
InChIInChI=1S/C19H22FN5/c1-13-9-19-22-18(10-14(2)25(19)23-13)15-5-7-24(8-6-15)12-17-4-3-16(20)11-21-17/h3-4,9-11,15H,5-8,12H2,1-2H3
InChIKeyILKIOOZPKXERDG-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.26
Rot. Bonds3

About 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine

5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 110132670) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID110132670
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C3CCN(Cc4ccc(F)cn4)CC3)cc(C)n2n1
InChIInChI=1S/C19H22FN5/c1-13-9-19-22-18(10-14(2)25(19)23-13)15-5-7-24(8-6-15)12-17-4-3-16(20)11-21-17/h3-4,9-11,15H,5-8,12H2,1-2H3
InChIKeyILKIOOZPKXERDG-UHFFFAOYSA-N
XLogP3.26
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 110245112
5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine
CID 156815312
N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125013153
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857
2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine
CID 177348339
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
2-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 122143987
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 110220484
5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 155982441
[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 81312464
6-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124986558
2-[(4-fluorophenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809288

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 110132670) is 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C3CCN(Cc4ccc(F)cn4)CC3)cc(C)n2n1.
What is the InChIKey of 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ILKIOOZPKXERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-13-9-19-22-18(10-14(2)25(19)23-13)15-5-7-24(8-6-15)12-17-4-3-16(20)11-21-17/h3-4,9-11,15H,5-8,12H2,1-2H3.
What are the key properties of 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 339.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110132670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).