(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

C24H38N6O4 — CID 92744344

IUPAC(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
SMILESCCCN1C(=O)c2cc(C(=O)NCCCN3CCOCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H38N6O4/c1-3-10-29-22(32)20-16-19(21(31)25-9-6-11-28-12-14-34-15-13-28)27-30(20)17-24(29,2)23(33)26-18-7-4-5-8-18/h16,18H,3-15,17H2,1-2H3,(H,25,31)(H,26,33)/t24-/m0/s1
InChIKeyQXWNSAHRSSOLOL-DEOSSOPVSA-N
MW474.61 g/mol
LogP1.02
Rot. Bonds9

About (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

(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 (PubChem CID 92744344) has the molecular formula C24H38N6O4 and a molecular weight of 474.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92744344
Molecular FormulaC24H38N6O4
Molecular Weight474.61 g/mol
Exact Mass474.30
IUPAC Name(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
SMILESCCCN1C(=O)c2cc(C(=O)NCCCN3CCOCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H38N6O4/c1-3-10-29-22(32)20-16-19(21(31)25-9-6-11-28-12-14-34-15-13-28)27-30(20)17-24(29,2)23(33)26-18-7-4-5-8-18/h16,18H,3-15,17H2,1-2H3,(H,25,31)(H,26,33)/t24-/m0/s1
InChIKeyQXWNSAHRSSOLOL-DEOSSOPVSA-N
XLogP1.02
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744260
(6R)-6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743229
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
(6S)-6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743426
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-piperidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278753
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92723184
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-[2-(4-methylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744485
6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919483
6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide
CID 71172257
2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 71219692

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCN1C(=O)c2cc(C(=O)NCCCN3CCOCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (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?
The InChIKey is QXWNSAHRSSOLOL-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H38N6O4/c1-3-10-29-22(32)20-16-19(21(31)25-9-6-11-28-12-14-34-15-13-28)27-30(20)17-24(29,2)23(33)26-18-7-4-5-8-18/h16,18H,3-15,17H2,1-2H3,(H,25,31)(H,26,33)/t24-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 474.61 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92744344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).