ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate

C20H22ClN5O3 — CID 11626602

IUPACethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(N3CCC[C@@H](N)C3)c(-c3ccccc3Cl)c2c(=O)[nH]1
InChIInChI=1S/C20H22ClN5O3/c1-2-29-20(28)15-11-26-17(19(27)23-15)16(13-7-3-4-8-14(13)21)18(24-26)25-9-5-6-12(22)10-25/h3-4,7-8,11-12H,2,5-6,9-10,22H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyBTIMPPGHXXCUOM-GFCCVEGCSA-N
MW415.88 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate

ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate (PubChem CID 11626602) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
PubChem CID11626602
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Nameethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(N3CCC[C@@H](N)C3)c(-c3ccccc3Cl)c2c(=O)[nH]1
InChIInChI=1S/C20H22ClN5O3/c1-2-29-20(28)15-11-26-17(19(27)23-15)16(13-7-3-4-8-14(13)21)18(24-26)25-9-5-6-12(22)10-25/h3-4,7-8,11-12H,2,5-6,9-10,22H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyBTIMPPGHXXCUOM-GFCCVEGCSA-N
XLogP2.45
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate with MolForge

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Related Compounds

ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
CID 11690686
3-[(2-chlorophenyl)methyl]-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylic acid
CID 58853875
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride
CID 11420883
(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100
ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 22105943
ethyl 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42759372
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 150239625
ethyl (3S)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 1147643
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(3-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one;hydrochloride
CID 162329748

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
The IUPAC name of ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate (CID 11626602) is ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate is CCOC(=O)c1cn2nc(N3CCC[C@@H](N)C3)c(-c3ccccc3Cl)c2c(=O)[nH]1.
What is the InChIKey of ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
The InChIKey is BTIMPPGHXXCUOM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-2-29-20(28)15-11-26-17(19(27)23-15)16(13-7-3-4-8-14(13)21)18(24-26)25-9-5-6-12(22)10-25/h3-4,7-8,11-12H,2,5-6,9-10,22H2,1H3,(H,23,27)/t12-/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate has a molecular weight of 415.88 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate is sourced from PubChem (CID 11626602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).