5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

C18H25FN4O — CID 171798696

IUPAC5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2ccc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12
InChIInChI=1S/C18H25FN4O/c1-13(2)15-10-20-23-9-5-16(21-17(15)23)24-14-4-3-8-22(11-14)12-18(19)6-7-18/h5,9-10,13-14H,3-4,6-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyVLKJROFCJGHWNX-CQSZACIVSA-N
MW332.42 g/mol
LogP3.20
Rot. Bonds5

About 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 171798696) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID171798696
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2ccc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12
InChIInChI=1S/C18H25FN4O/c1-13(2)15-10-20-23-9-5-16(21-17(15)23)24-14-4-3-8-22(11-14)12-18(19)6-7-18/h5,9-10,13-14H,3-4,6-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyVLKJROFCJGHWNX-CQSZACIVSA-N
XLogP3.20
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

WO2023001061, Example 8
CID 166594736
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798286
tert-butyl 4-[[5-[(3R)-1-(1-fluorocyclopropanecarbonyl)piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 171798541
tert-butyl 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 171798614
(1-fluorocyclopropyl)-[(3R)-3-[7-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]methanone
CID 171798657
5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171798681
pyrrolidin-3-yl 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798734
2-Tert-butyl-5-cyclopropyl-4-[4-[3-(1-methylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine
CID 69076509
2-Butoxy-3-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89810640
4-[2-(1-Methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-2-amine
CID 156832220
6-methylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 171092480
3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 171092637

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 171798696) is 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cnn2ccc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12.
What is the InChIKey of 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VLKJROFCJGHWNX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-13(2)15-10-20-23-9-5-16(21-17(15)23)24-14-4-3-8-22(11-14)12-18(19)6-7-18/h5,9-10,13-14H,3-4,6-8,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 332.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171798696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).