3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C20H24N4O3 — CID 56901967

IUPAC3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC1Cc2ccccc2N1C(=O)CN1CCn2nc(CCC(=O)O)cc2C1
InChIInChI=1S/C20H24N4O3/c1-14-10-15-4-2-3-5-18(15)24(14)19(25)13-22-8-9-23-17(12-22)11-16(21-23)6-7-20(26)27/h2-5,11,14H,6-10,12-13H2,1H3,(H,26,27)
InChIKeyMYUGNLZWMRUNMV-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.69
Rot. Bonds5

About 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56901967) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56901967
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC1Cc2ccccc2N1C(=O)CN1CCn2nc(CCC(=O)O)cc2C1
InChIInChI=1S/C20H24N4O3/c1-14-10-15-4-2-3-5-18(15)24(14)19(25)13-22-8-9-23-17(12-22)11-16(21-23)6-7-20(26)27/h2-5,11,14H,6-10,12-13H2,1H3,(H,26,27)
InChIKeyMYUGNLZWMRUNMV-UHFFFAOYSA-N
XLogP1.69
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56901967) is 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is CC1Cc2ccccc2N1C(=O)CN1CCn2nc(CCC(=O)O)cc2C1.
What is the InChIKey of 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is MYUGNLZWMRUNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-10-15-4-2-3-5-18(15)24(14)19(25)13-22-8-9-23-17(12-22)11-16(21-23)6-7-20(26)27/h2-5,11,14H,6-10,12-13H2,1H3,(H,26,27).
What are the key properties of 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 368.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56901967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).