5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C27H26N6O4 — CID 171682210

IUPAC5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(CCCC(=O)N1CCn2nc(C(=O)Nc3nc(-c4ccccc4)co3)cc2C1)Nc1ccccc1
InChIInChI=1S/C27H26N6O4/c34-24(28-20-10-5-2-6-11-20)12-7-13-25(35)32-14-15-33-21(17-32)16-22(31-33)26(36)30-27-29-23(18-37-27)19-8-3-1-4-9-19/h1-6,8-11,16,18H,7,12-15,17H2,(H,28,34)(H,29,30,36)
InChIKeyYKCNXCSBWKPMCZ-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.94
Rot. Bonds8

About 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 171682210) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID171682210
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Name5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(CCCC(=O)N1CCn2nc(C(=O)Nc3nc(-c4ccccc4)co3)cc2C1)Nc1ccccc1
InChIInChI=1S/C27H26N6O4/c34-24(28-20-10-5-2-6-11-20)12-7-13-25(35)32-14-15-33-21(17-32)16-22(31-33)26(36)30-27-29-23(18-37-27)19-8-3-1-4-9-19/h1-6,8-11,16,18H,7,12-15,17H2,(H,28,34)(H,29,30,36)
InChIKeyYKCNXCSBWKPMCZ-UHFFFAOYSA-N
XLogP3.94
TPSA122.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 171682210) is 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(CCCC(=O)N1CCn2nc(C(=O)Nc3nc(-c4ccccc4)co3)cc2C1)Nc1ccccc1.
What is the InChIKey of 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is YKCNXCSBWKPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c34-24(28-20-10-5-2-6-11-20)12-7-13-25(35)32-14-15-33-21(17-32)16-22(31-33)26(36)30-27-29-23(18-37-27)19-8-3-1-4-9-19/h1-6,8-11,16,18H,7,12-15,17H2,(H,28,34)(H,29,30,36).
What are the key properties of 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-anilino-5-oxopentanoyl)-N-(4-phenyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 171682210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).