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

C24H26ClFN6O2 — CID 122672307

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)c1ccn2ncc(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)c2n1
InChIInChI=1S/C24H26ClFN6O2/c1-30(2)20-7-11-32-21(29-20)17(14-27-32)22(33)28-16-5-8-24(9-6-16)10-12-31(23(24)34)19-4-3-15(26)13-18(19)25/h3-4,7,11,13-14,16H,5-6,8-10,12H2,1-2H3,(H,28,33)
InChIKeyPBCDVMQSSCPKAA-UHFFFAOYSA-N
MW484.96 g/mol
LogP3.68
Rot. Bonds4

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

N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122672307) has the molecular formula C24H26ClFN6O2 and a molecular weight of 484.96 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122672307
Molecular FormulaC24H26ClFN6O2
Molecular Weight484.96 g/mol
Exact Mass484.18
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)c1ccn2ncc(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)c2n1
InChIInChI=1S/C24H26ClFN6O2/c1-30(2)20-7-11-32-21(29-20)17(14-27-32)22(33)28-16-5-8-24(9-6-16)10-12-31(23(24)34)19-4-3-15(26)13-18(19)25/h3-4,7,11,13-14,16H,5-6,8-10,12H2,1-2H3,(H,28,33)
InChIKeyPBCDVMQSSCPKAA-UHFFFAOYSA-N
XLogP3.68
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-5-(dimethylamino)pyrazolo[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]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122672307) is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[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]-5-(dimethylamino)pyrazolo[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]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)c1ccn2ncc(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)c2n1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PBCDVMQSSCPKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O2/c1-30(2)20-7-11-32-21(29-20)17(14-27-32)22(33)28-16-5-8-24(9-6-16)10-12-31(23(24)34)19-4-3-15(26)13-18(19)25/h3-4,7,11,13-14,16H,5-6,8-10,12H2,1-2H3,(H,28,33).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.96 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-5-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122672307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).