5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C17H22FN5O4 — CID 172587039

IUPAC5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@@H](F)CN(c2ccn3ncc(C(=O)O)c3n2)C1
InChIInChI=1S/C17H22FN5O4/c1-17(2,3)27-16(26)20-11-6-10(18)8-22(9-11)13-4-5-23-14(21-13)12(7-19-23)15(24)25/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,20,26)(H,24,25)/t10-,11-/m1/s1
InChIKeyGCPQAIRIRPLOBV-GHMZBOCLSA-N
MW379.39 g/mol
LogP1.87
Rot. Bonds3

About 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 172587039) has the molecular formula C17H22FN5O4 and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID172587039
Molecular FormulaC17H22FN5O4
Molecular Weight379.39 g/mol
Exact Mass379.17
IUPAC Name5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@@H](F)CN(c2ccn3ncc(C(=O)O)c3n2)C1
InChIInChI=1S/C17H22FN5O4/c1-17(2,3)27-16(26)20-11-6-10(18)8-22(9-11)13-4-5-23-14(21-13)12(7-19-23)15(24)25/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,20,26)(H,24,25)/t10-,11-/m1/s1
InChIKeyGCPQAIRIRPLOBV-GHMZBOCLSA-N
XLogP1.87
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(difluoromethyl)-4-[[5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 172587003
tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
CID 175980138
tert-butyl N-[(3R,5R)-1-[3-[[3-(difluoromethyl)-1-[4-[[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-5-fluoropiperidin-3-yl]carbamate
CID 172587242
5-[(3S,5S)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263138
tert-butyl N-[(3R,5R)-1-[3-[[3-(difluoromethyl)-1-[4-[[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-5-fluoropiperidin-3-yl]carbamate
CID 172587324
5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 161276739
tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate
CID 162349133
tert-butyl N-[1-(5-bromo-2-pyridinyl)azetidin-3-yl]carbamate
CID 172529779
5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 149451971
5-[2-[5-fluoro-2-[(Z,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 142589555
5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154592188
tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
CID 58547859

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 172587039) is 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1C[C@@H](F)CN(c2ccn3ncc(C(=O)O)c3n2)C1.
What is the InChIKey of 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GCPQAIRIRPLOBV-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H22FN5O4/c1-17(2,3)27-16(26)20-11-6-10(18)8-22(9-11)13-4-5-23-14(21-13)12(7-19-23)15(24)25/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,20,26)(H,24,25)/t10-,11-/m1/s1.
What are the key properties of 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 379.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 172587039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).