3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C18H28N4O4 — CID 56896836

IUPAC3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC(C)N1CCOC(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)C1
InChIInChI=1S/C18H28N4O4/c1-13(2)20-7-8-26-16(12-20)10-17(23)21-5-6-22-15(11-21)9-14(19-22)3-4-18(24)25/h9,13,16H,3-8,10-12H2,1-2H3,(H,24,25)
InChIKeyKSNADPVUELQPRH-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.74
Rot. Bonds6

About 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56896836) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56896836
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC(C)N1CCOC(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)C1
InChIInChI=1S/C18H28N4O4/c1-13(2)20-7-8-26-16(12-20)10-17(23)21-5-6-22-15(11-21)9-14(19-22)3-4-18(24)25/h9,13,16H,3-8,10-12H2,1-2H3,(H,24,25)
InChIKeyKSNADPVUELQPRH-UHFFFAOYSA-N
XLogP0.74
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 95714424
1-ethyl-5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56709009
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
(2R)-2-amino-1-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 72883225
N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72863618
3-[5-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56902134
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 56738601
3-[5-[3-(5-methylfuran-2-yl)butyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56886037
3-[5-[(3R)-3-(5-methylfuran-2-yl)butyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 95873784
3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56888003
2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 118781326
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56896836) is 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is CC(C)N1CCOC(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)C1.
What is the InChIKey of 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is KSNADPVUELQPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13(2)20-7-8-26-16(12-20)10-17(23)21-5-6-22-15(11-21)9-14(19-22)3-4-18(24)25/h9,13,16H,3-8,10-12H2,1-2H3,(H,24,25).
What are the key properties of 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 364.45 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56896836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).