ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate

C15H19N5O3 — CID 1259056

IUPACethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C15H19N5O3/c1-2-23-15(22)19-8-4-11(5-9-19)18-14(21)12-10-17-20-7-3-6-16-13(12)20/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,21)
InChIKeyZAUJYJRFTUQFRX-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.08
Rot. Bonds3

About ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate

ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate (PubChem CID 1259056) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate
PubChem CID1259056
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Nameethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C15H19N5O3/c1-2-23-15(22)19-8-4-11(5-9-19)18-14(21)12-10-17-20-7-3-6-16-13(12)20/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,21)
InChIKeyZAUJYJRFTUQFRX-UHFFFAOYSA-N
XLogP1.08
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclopentyl-6-{(1r)-1-[3-(Pyrimidin-2-Yl)azetidin-1-Yl]ethyl}-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566744
ethyl N-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)glycinate
CID 1975787
N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441452
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449361
N-cyclopropyl-5-[[1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449511
N-cyclopropyl-5-[[1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449540
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449727
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-[(3R)-1-methylpiperidin-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449756
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-[(3S)-1-methylpiperidin-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449758
N-cyclopropyl-5-[[1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449907
5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449957
N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450146

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate (CID 1259056) is ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate?
The InChIKey is ZAUJYJRFTUQFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-2-23-15(22)19-8-4-11(5-9-19)18-14(21)12-10-17-20-7-3-6-16-13(12)20/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 1259056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).