3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride

C17H26ClN5O4 — CID 45264459

IUPAC3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC(=O)c1cc2n(n1)CCN(CCC1CCNCC1)C2=O
InChIInChI=1S/C17H25N5O4.ClH/c23-15(24)3-7-19-16(25)13-11-14-17(26)21(9-10-22(14)20-13)8-4-12-1-5-18-6-2-12;/h11-12,18H,1-10H2,(H,19,25)(H,23,24);1H
InChIKeyOZHPLAIYBVMCKQ-UHFFFAOYSA-N
MW399.88 g/mol
LogP0.35
Rot. Bonds7

About 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride

3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride (PubChem CID 45264459) has the molecular formula C17H26ClN5O4 and a molecular weight of 399.88 g/mol. Its IUPAC name is 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride
PubChem CID45264459
Molecular FormulaC17H26ClN5O4
Molecular Weight399.88 g/mol
Exact Mass399.17
IUPAC Name3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC(=O)c1cc2n(n1)CCN(CCC1CCNCC1)C2=O
InChIInChI=1S/C17H25N5O4.ClH/c23-15(24)3-7-19-16(25)13-11-14-17(26)21(9-10-22(14)20-13)8-4-12-1-5-18-6-2-12;/h11-12,18H,1-10H2,(H,19,25)(H,23,24);1H
InChIKeyOZHPLAIYBVMCKQ-UHFFFAOYSA-N
XLogP0.35
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride (CID 45264459) is 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride is Cl.O=C(O)CCNC(=O)c1cc2n(n1)CCN(CCC1CCNCC1)C2=O.
What is the InChIKey of 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride?
The InChIKey is OZHPLAIYBVMCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4.ClH/c23-15(24)3-7-19-16(25)13-11-14-17(26)21(9-10-22(14)20-13)8-4-12-1-5-18-6-2-12;/h11-12,18H,1-10H2,(H,19,25)(H,23,24);1H.
What are the key properties of 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride?
3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride has a molecular weight of 399.88 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 45264459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).