ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H17FN4O3 — CID 155399805

IUPACethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(F)c(NC3CCC[C@@H]3O)nc12
InChIInChI=1S/C14H17FN4O3/c1-2-22-14(21)8-6-16-19-7-9(15)12(18-13(8)19)17-10-4-3-5-11(10)20/h6-7,10-11,20H,2-5H2,1H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyHTSLPGZLWAVESD-DTIOYNMSSA-N
MW308.31 g/mol
LogP1.37
Rot. Bonds4

About ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 155399805) has the molecular formula C14H17FN4O3 and a molecular weight of 308.31 g/mol. Its IUPAC name is ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID155399805
Molecular FormulaC14H17FN4O3
Molecular Weight308.31 g/mol
Exact Mass308.13
IUPAC Nameethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(F)c(NC3CCC[C@@H]3O)nc12
InChIInChI=1S/C14H17FN4O3/c1-2-22-14(21)8-6-16-19-7-9(15)12(18-13(8)19)17-10-4-3-5-11(10)20/h6-7,10-11,20H,2-5H2,1H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyHTSLPGZLWAVESD-DTIOYNMSSA-N
XLogP1.37
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-chloro-4-[[(2S)-2-hydroxycyclopentyl]amino]pyridine-3-carboxylate
CID 90134297
ethyl (12R)-12-methyl-10-oxa-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxylate
CID 155425476
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl (2R)-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 71137712
ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 131697608
ethyl 1-(2-hydroxycyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 63234906
ethyl spiro[10-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-12,1'-cyclopentane]-4-carboxylate
CID 158815393
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
ethyl 1',1'-difluorospiro[10-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-12,3'-cyclobutane]-4-carboxylate
CID 161064173
trans-ethyl (1S,2S)-2-[[5-fluoro-2-(iodomethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxylate
CID 89314996
ethyl 2-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 155399805) is ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cc(F)c(NC3CCC[C@@H]3O)nc12.
What is the InChIKey of ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is HTSLPGZLWAVESD-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H17FN4O3/c1-2-22-14(21)8-6-16-19-7-9(15)12(18-13(8)19)17-10-4-3-5-11(10)20/h6-7,10-11,20H,2-5H2,1H3,(H,17,18)/t10?,11-/m0/s1.
What are the key properties of ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 308.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-5-[[(2S)-2-hydroxycyclopentyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 155399805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).