tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate

C16H21F2N5O2 — CID 162349133

IUPACtert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CN(c2ccn3nccc3n2)CC(F)(F)C1
InChIInChI=1S/C16H21F2N5O2/c1-15(2,3)25-14(24)20-11-8-16(17,18)10-22(9-11)12-5-7-23-13(21-12)4-6-19-23/h4-7,11H,8-10H2,1-3H3,(H,20,24)/t11-/m1/s1
InChIKeyOGYWMZJLPWASBL-LLVKDONJSA-N
MW353.37 g/mol
LogP2.47
Rot. Bonds2

About tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate

tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate (PubChem CID 162349133) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate
PubChem CID162349133
Molecular FormulaC16H21F2N5O2
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Nametert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CN(c2ccn3nccc3n2)CC(F)(F)C1
InChIInChI=1S/C16H21F2N5O2/c1-15(2,3)25-14(24)20-11-8-16(17,18)10-22(9-11)12-5-7-23-13(21-12)4-6-19-23/h4-7,11H,8-10H2,1-3H3,(H,20,24)/t11-/m1/s1
InChIKeyOGYWMZJLPWASBL-LLVKDONJSA-N
XLogP2.47
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-5,5-difluoropiperidin-3-yl]carbamate
CID 167294101
5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 172587039
tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
CID 58547859
tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
CID 175980138
tert-butyl N-[(1S,3S)-3-[(5-chloro-4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 169291391
tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 97291627
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 171996306
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
CID 66570422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate (CID 162349133) is tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CN(c2ccn3nccc3n2)CC(F)(F)C1.
What is the InChIKey of tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate?
The InChIKey is OGYWMZJLPWASBL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c1-15(2,3)25-14(24)20-11-8-16(17,18)10-22(9-11)12-5-7-23-13(21-12)4-6-19-23/h4-7,11H,8-10H2,1-3H3,(H,20,24)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate?
tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate has a molecular weight of 353.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-5,5-difluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 162349133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).