methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C16H18N4O4 — CID 50976583

IUPACmethyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCn3nc(C(=O)OC)cc3C2)nc1
InChIInChI=1S/C16H18N4O4/c1-3-24-15(21)11-4-5-14(17-9-11)19-6-7-20-12(10-19)8-13(18-20)16(22)23-2/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyARURSEXFSNOZOG-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.26
Rot. Bonds4

About methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50976583) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50976583
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCn3nc(C(=O)OC)cc3C2)nc1
InChIInChI=1S/C16H18N4O4/c1-3-24-15(21)11-4-5-14(17-9-11)19-6-7-20-12(10-19)8-13(18-20)16(22)23-2/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyARURSEXFSNOZOG-UHFFFAOYSA-N
XLogP1.26
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

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CID 83435
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079438
Ethyl 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 118711842
Ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162647036
1-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl pyridine-3-carboxylate
CID 3043685
Ethyl 4-methyl-11-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carboxylate
CID 134153200
Ethyl 4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162650614
Ethyl 1-phenyl-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162653338
Ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162670342
methyl 6-(1H-pyrazol-1-yl)nicotinate
CID 3741563
US10336761, Example 216
CID 135262379

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50976583) is methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1ccc(N2CCn3nc(C(=O)OC)cc3C2)nc1.
What is the InChIKey of methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is ARURSEXFSNOZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-3-24-15(21)11-4-5-14(17-9-11)19-6-7-20-12(10-19)8-13(18-20)16(22)23-2/h4-5,8-9H,3,6-7,10H2,1-2H3.
What are the key properties of methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-ethoxycarbonyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50976583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).