5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C15H21F2N5O — CID 171798343

IUPAC5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CCNCC3)cc(OC(F)F)nc12
InChIInChI=1S/C15H21F2N5O/c1-9(2)11-8-19-22-12(20-10-3-5-18-6-4-10)7-13(21-14(11)22)23-15(16)17/h7-10,15,18,20H,3-6H2,1-2H3
InChIKeyNEVLCDAUPLAALW-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.62
Rot. Bonds5

About 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 171798343) has the molecular formula C15H21F2N5O and a molecular weight of 325.36 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID171798343
Molecular FormulaC15H21F2N5O
Molecular Weight325.36 g/mol
Exact Mass325.17
IUPAC Name5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CCNCC3)cc(OC(F)F)nc12
InChIInChI=1S/C15H21F2N5O/c1-9(2)11-8-19-22-12(20-10-3-5-18-6-4-10)7-13(21-14(11)22)23-15(16)17/h7-10,15,18,20H,3-6H2,1-2H3
InChIKeyNEVLCDAUPLAALW-UHFFFAOYSA-N
XLogP2.62
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

WO2023001061, Example 8
CID 166594736
6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 95147282
[1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798201
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171798219
Pyrrolidin-3-yl 3-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798265
Pyrrolidin-3-yl 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798281
Azetidin-3-yl 3-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798430
[1-(2-Fluoroprop-2-enoyl)pyrrolidin-3-yl] 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798448
(1-But-2-ynoylpyrrolidin-3-yl) 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798628
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
Tert-butyl 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 171798747
(E)-4-cyclohexylimino-1,1-difluoro-3-N-[1-(2-methoxypyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]but-2-ene-2,3-diamine
CID 156823346

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 171798343) is 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NC3CCNCC3)cc(OC(F)F)nc12.
What is the InChIKey of 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NEVLCDAUPLAALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O/c1-9(2)11-8-19-22-12(20-10-3-5-18-6-4-10)7-13(21-14(11)22)23-15(16)17/h7-10,15,18,20H,3-6H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 171798343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).