N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H23F2N5O — CID 171798219

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CC4CCC(C3)N4)cc(OC(F)F)nc12
InChIInChI=1S/C17H23F2N5O/c1-9(2)13-8-20-24-14(7-15(23-16(13)24)25-17(18)19)22-12-5-10-3-4-11(6-12)21-10/h7-12,17,21-22H,3-6H2,1-2H3
InChIKeyOIIZLRQPBBEQKO-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.15
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 171798219) has the molecular formula C17H23F2N5O and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID171798219
Molecular FormulaC17H23F2N5O
Molecular Weight351.40 g/mol
Exact Mass351.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CC4CCC(C3)N4)cc(OC(F)F)nc12
InChIInChI=1S/C17H23F2N5O/c1-9(2)13-8-20-24-14(7-15(23-16(13)24)25-17(18)19)22-12-5-10-3-4-11(6-12)21-10/h7-12,17,21-22H,3-6H2,1-2H3
InChIKeyOIIZLRQPBBEQKO-UHFFFAOYSA-N
XLogP3.15
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

WO2023001061, Example 8
CID 166594736
[1-[(2-Methylpropan-2-yl)oxycarbonyl]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 171798161
[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
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
N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 171798288
[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798319
5-(difluoromethoxy)-N-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171798343
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-[(E)-4-(dimethylamino)but-2-enyl]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 171798479
(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

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 171798219) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NC3CC4CCC(C3)N4)cc(OC(F)F)nc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OIIZLRQPBBEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O/c1-9(2)13-8-20-24-14(7-15(23-16(13)24)25-17(18)19)22-12-5-10-3-4-11(6-12)21-10/h7-12,17,21-22H,3-6H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 351.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 171798219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).