N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23ClFN5O2 — CID 134479310

IUPACN-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(Cc1ccc(F)cc1Cl)C2=O)c1cnn2cccnc12
InChIInChI=1S/C23H23ClFN5O2/c24-19-12-16(25)3-2-15(19)14-29-11-8-23(22(29)32)6-4-17(5-7-23)28-21(31)18-13-27-30-10-1-9-26-20(18)30/h1-3,9-10,12-13,17H,4-8,11,14H2,(H,28,31)
InChIKeyVLLJXEQFYADZFW-UHFFFAOYSA-N
MW455.92 g/mol
LogP3.61
Rot. Bonds4

About N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134479310) has the molecular formula C23H23ClFN5O2 and a molecular weight of 455.92 g/mol. Its IUPAC name is N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134479310
Molecular FormulaC23H23ClFN5O2
Molecular Weight455.92 g/mol
Exact Mass455.15
IUPAC NameN-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(Cc1ccc(F)cc1Cl)C2=O)c1cnn2cccnc12
InChIInChI=1S/C23H23ClFN5O2/c24-19-12-16(25)3-2-15(19)14-29-11-8-23(22(29)32)6-4-17(5-7-23)28-21(31)18-13-27-30-10-1-9-26-20(18)30/h1-3,9-10,12-13,17H,4-8,11,14H2,(H,28,31)
InChIKeyVLLJXEQFYADZFW-UHFFFAOYSA-N
XLogP3.61
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
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CID 166255196
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122672295
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 33103568
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 46249807
5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one
CID 56757392
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CID 122672769
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 142335942
N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136567610
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134479310) is N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC2(CC1)CCN(Cc1ccc(F)cc1Cl)C2=O)c1cnn2cccnc12.
What is the InChIKey of N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VLLJXEQFYADZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O2/c24-19-12-16(25)3-2-15(19)14-29-11-8-23(22(29)32)6-4-17(5-7-23)28-21(31)18-13-27-30-10-1-9-26-20(18)30/h1-3,9-10,12-13,17H,4-8,11,14H2,(H,28,31).
What are the key properties of N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.92 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134479310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).