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

C23H35FN6O — CID 171798681

IUPAC5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CCNCC3)cc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12
InChIInChI=1S/C23H35FN6O/c1-16(2)19-13-26-30-20(27-17-5-9-25-10-6-17)12-21(28-22(19)30)31-18-4-3-11-29(14-18)15-23(24)7-8-23/h12-13,16-18,25,27H,3-11,14-15H2,1-2H3/t18-/m1/s1
InChIKeyYBZNHPCELMHDBH-GOSISDBHSA-N
MW430.57 g/mol
LogP3.36
Rot. Bonds7

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

5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 171798681) has the molecular formula C23H35FN6O and a molecular weight of 430.57 g/mol. Its IUPAC name is 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID171798681
Molecular FormulaC23H35FN6O
Molecular Weight430.57 g/mol
Exact Mass430.29
IUPAC Name5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CCNCC3)cc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12
InChIInChI=1S/C23H35FN6O/c1-16(2)19-13-26-30-20(27-17-5-9-25-10-6-17)12-21(28-22(19)30)31-18-4-3-11-29(14-18)15-23(24)7-8-23/h12-13,16-18,25,27H,3-11,14-15H2,1-2H3/t18-/m1/s1
InChIKeyYBZNHPCELMHDBH-GOSISDBHSA-N
XLogP3.36
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

WO2023001061, Example 8
CID 166594736
[1-(2-fluoroprop-2-enoyl)pyrrolidin-3-yl] (1R,5S)-3-[[[5-[(3R)-piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798179
[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
[1-(2-fluoroprop-2-enoyl)azetidin-3-yl] 6-[[5-[(3R)-piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 171798277
Pyrrolidin-3-yl 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798281
[1-(2-fluoroprop-2-enoyl)azetidin-3-yl] 4-[[[5-[(3R)-piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxylate
CID 171798285
[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
5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171798343
[1-(2-fluoroprop-2-enoyl)pyrrolidin-3-yl] 3-[[5-[(3R)-piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798375
[1-(2-fluoroprop-2-enoyl)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 171798388
[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[[5-[(3R)-1-(1-fluorocyclopropanecarbonyl)piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798420
[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

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 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) is 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NC3CCNCC3)cc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12.
What is the InChIKey of 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YBZNHPCELMHDBH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H35FN6O/c1-16(2)19-13-26-30-20(27-17-5-9-25-10-6-17)12-21(28-22(19)30)31-18-4-3-11-29(14-18)15-23(24)7-8-23/h12-13,16-18,25,27H,3-11,14-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 430.57 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 171798681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).