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

C23H23ClFN5O2 — CID 122672389

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O
InChIInChI=1S/C23H23ClFN5O2/c1-14-19(20-26-10-2-11-30(20)28-14)21(31)27-16-5-7-23(8-6-16)9-12-29(22(23)32)18-4-3-15(25)13-17(18)24/h2-4,10-11,13,16H,5-9,12H2,1H3,(H,27,31)
InChIKeyCSAVDTQZBFIOPN-UHFFFAOYSA-N
MW455.92 g/mol
LogP3.93
Rot. Bonds3

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

N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122672389) has the molecular formula C23H23ClFN5O2 and a molecular weight of 455.92 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122672389
Molecular FormulaC23H23ClFN5O2
Molecular Weight455.92 g/mol
Exact Mass455.15
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O
InChIInChI=1S/C23H23ClFN5O2/c1-14-19(20-26-10-2-11-30(20)28-14)21(31)27-16-5-7-23(8-6-16)9-12-29(22(23)32)18-4-3-15(25)13-17(18)24/h2-4,10-11,13,16H,5-9,12H2,1H3,(H,27,31)
InChIKeyCSAVDTQZBFIOPN-UHFFFAOYSA-N
XLogP3.93
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122672389) is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CSAVDTQZBFIOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O2/c1-14-19(20-26-10-2-11-30(20)28-14)21(31)27-16-5-7-23(8-6-16)9-12-29(22(23)32)18-4-3-15(25)13-17(18)24/h2-4,10-11,13,16H,5-9,12H2,1H3,(H,27,31).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.92 g/mol, XLogP of 3.93, 3 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)-1-oxo-2-azaspiro[4.5]decan-8-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122672389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).