5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C22H29N5O4 — CID 46077525

IUPAC5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CN2CCn3nc(C(=O)NCCCN4CCOCC4)cc3C2=O)cc1
InChIInChI=1S/C22H29N5O4/c1-30-18-5-3-17(4-6-18)16-26-9-10-27-20(22(26)29)15-19(24-27)21(28)23-7-2-8-25-11-13-31-14-12-25/h3-6,15H,2,7-14,16H2,1H3,(H,23,28)
InChIKeyREPROHNZXNZDSD-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.00
Rot. Bonds8

About 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077525) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077525
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CN2CCn3nc(C(=O)NCCCN4CCOCC4)cc3C2=O)cc1
InChIInChI=1S/C22H29N5O4/c1-30-18-5-3-17(4-6-18)16-26-9-10-27-20(22(26)29)15-19(24-27)21(28)23-7-2-8-25-11-13-31-14-12-25/h3-6,15H,2,7-14,16H2,1H3,(H,23,28)
InChIKeyREPROHNZXNZDSD-UHFFFAOYSA-N
XLogP1.00
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797887
5-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875333
5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078805
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078698
5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049795
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078774
(6S)-6-N-cyclopentyl-6-methyl-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744344
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
5-[(4-chlorophenyl)methyl]-4-oxo-N-(3-propan-2-yloxypropyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 20964798

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077525) is 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(CN2CCn3nc(C(=O)NCCCN4CCOCC4)cc3C2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is REPROHNZXNZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-30-18-5-3-17(4-6-18)16-26-9-10-27-20(22(26)29)15-19(24-27)21(28)23-7-2-8-25-11-13-31-14-12-25/h3-6,15H,2,7-14,16H2,1H3,(H,23,28).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).