6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide

C22H32FN5O4 — CID 71172257

IUPAC6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2n(n1)CC(CF)(C(=O)NC1CCCC1)CC2=O
InChIInChI=1S/C22H32FN5O4/c23-14-22(21(31)25-16-4-1-2-5-16)13-19(29)18-12-17(26-28(18)15-22)20(30)24-6-3-7-27-8-10-32-11-9-27/h12,16H,1-11,13-15H2,(H,24,30)(H,25,31)
InChIKeyNBWITTALVCJDQL-UHFFFAOYSA-N
MW449.53 g/mol
LogP0.94
Rot. Bonds8

About 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide

6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide (PubChem CID 71172257) has the molecular formula C22H32FN5O4 and a molecular weight of 449.53 g/mol. Its IUPAC name is 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide
PubChem CID71172257
Molecular FormulaC22H32FN5O4
Molecular Weight449.53 g/mol
Exact Mass449.24
IUPAC Name6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2n(n1)CC(CF)(C(=O)NC1CCCC1)CC2=O
InChIInChI=1S/C22H32FN5O4/c23-14-22(21(31)25-16-4-1-2-5-16)13-19(29)18-12-17(26-28(18)15-22)20(30)24-6-3-7-27-8-10-32-11-9-27/h12,16H,1-11,13-15H2,(H,24,30)(H,25,31)
InChIKeyNBWITTALVCJDQL-UHFFFAOYSA-N
XLogP0.94
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
(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
(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
2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 71172156
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278746
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
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
6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 143131043
4-[(2R)-2-methylpiperidin-1-yl]-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 95445040

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide?
The IUPAC name of 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) is 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide is O=C(NCCCN1CCOCC1)c1cc2n(n1)CC(CF)(C(=O)NC1CCCC1)CC2=O.
What is the InChIKey of 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide?
The InChIKey is NBWITTALVCJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN5O4/c23-14-22(21(31)25-16-4-1-2-5-16)13-19(29)18-12-17(26-28(18)15-22)20(30)24-6-3-7-27-8-10-32-11-9-27/h12,16H,1-11,13-15H2,(H,24,30)(H,25,31).
What are the key properties of 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide?
6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide has a molecular weight of 449.53 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-6-(fluoromethyl)-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydropyrazolo[1,5-a]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 71172257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).