ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C19H20N4O3 — CID 58465776

IUPACethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C19H20N4O3/c1-2-26-19(25)17-10-14-12-22(7-8-23(14)21-17)18(24)9-13-11-20-16-6-4-3-5-15(13)16/h3-6,10-11,20H,2,7-9,12H2,1H3
InChIKeyCKJDMPXHLAYCIE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.13
Rot. Bonds4

About ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 58465776) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID58465776
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C19H20N4O3/c1-2-26-19(25)17-10-14-12-22(7-8-23(14)21-17)18(24)9-13-11-20-16-6-4-3-5-15(13)16/h3-6,10-11,20H,2,7-9,12H2,1H3
InChIKeyCKJDMPXHLAYCIE-UHFFFAOYSA-N
XLogP2.13
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

Mmp13-IN-3
CID 45376872
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 1265037
ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 15958783
CARM1 inhibitor 2
CID 50937454
Ethyl 3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene-5-carboxylate
CID 135432839
1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 91800747
2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957536
2-[4-[[[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazole-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 45377138
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl}-1H-indole-2-carboxylate
CID 45377565
ethyl 5-[1-methyl-3-[(6-oxo-1H-pyridin-3-yl)methylcarbamoyl]pyrazol-5-yl]-1H-indole-2-carboxylate
CID 45377703
4-[[[5-[2-(ethoxymethyl)-1H-indol-5-yl]-1-methylpyrazole-3-carbonyl]amino]methyl]benzoic acid
CID 56850411

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 58465776) is ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2.
What is the InChIKey of ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is CKJDMPXHLAYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-26-19(25)17-10-14-12-22(7-8-23(14)21-17)18(24)9-13-11-20-16-6-4-3-5-15(13)16/h3-6,10-11,20H,2,7-9,12H2,1H3.
What are the key properties of ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(1H-indol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 58465776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).