3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C20H24N4O4 — CID 56882605

IUPAC3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCn1c2c(cc(C(=O)N3CCn4nc(CCC(=O)O)cc4C3)c1=O)CCCC2
InChIInChI=1S/C20H24N4O4/c1-22-17-5-3-2-4-13(17)10-16(19(22)27)20(28)23-8-9-24-15(12-23)11-14(21-24)6-7-18(25)26/h10-11H,2-9,12H2,1H3,(H,25,26)
InChIKeyPMQPUQFZHYMPBX-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.13
Rot. Bonds4

About 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56882605) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56882605
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCn1c2c(cc(C(=O)N3CCn4nc(CCC(=O)O)cc4C3)c1=O)CCCC2
InChIInChI=1S/C20H24N4O4/c1-22-17-5-3-2-4-13(17)10-16(19(22)27)20(28)23-8-9-24-15(12-23)11-14(21-24)6-7-18(25)26/h10-11H,2-9,12H2,1H3,(H,25,26)
InChIKeyPMQPUQFZHYMPBX-UHFFFAOYSA-N
XLogP1.13
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid with MolForge

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Related Compounds

3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56888003
3-[5-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56902134
3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56899180
3-[5-[2-(1H-1,2,4-triazol-5-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56902866
3-[5-(1-methylindole-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56882862
3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 95714424
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
3-[5-[2-(1H-imidazol-2-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56906356
3-[5-(3,4-difluorobenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56906037
3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 112547163
2-[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 70785931
methyl 2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetate
CID 70713889

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56882605) is 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is Cn1c2c(cc(C(=O)N3CCn4nc(CCC(=O)O)cc4C3)c1=O)CCCC2.
What is the InChIKey of 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is PMQPUQFZHYMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-22-17-5-3-2-4-13(17)10-16(19(22)27)20(28)23-8-9-24-15(12-23)11-14(21-24)6-7-18(25)26/h10-11H,2-9,12H2,1H3,(H,25,26).
What are the key properties of 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 384.44 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56882605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).