N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23ClF3N5O2 — CID 122672411

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)c2n1
InChIInChI=1S/C24H23ClF3N5O2/c1-13-10-19(20(27)28)33-21(30-13)16(12-29-33)22(34)31-15-4-6-24(7-5-15)8-9-32(23(24)35)18-3-2-14(26)11-17(18)25/h2-3,10-12,15,20H,4-9H2,1H3,(H,31,34)
InChIKeyYQBFUTVYQWXFNN-UHFFFAOYSA-N
MW505.93 g/mol
LogP4.86
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122672411) has the molecular formula C24H23ClF3N5O2 and a molecular weight of 505.93 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-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]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122672411
Molecular FormulaC24H23ClF3N5O2
Molecular Weight505.93 g/mol
Exact Mass505.15
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)c2n1
InChIInChI=1S/C24H23ClF3N5O2/c1-13-10-19(20(27)28)33-21(30-13)16(12-29-33)22(34)31-15-4-6-24(7-5-15)8-9-32(23(24)35)18-3-2-14(26)11-17(18)25/h2-3,10-12,15,20H,4-9H2,1H3,(H,31,34)
InChIKeyYQBFUTVYQWXFNN-UHFFFAOYSA-N
XLogP4.86
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.93
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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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]-7-(difluoromethyl)-5-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]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122672411) is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-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]-7-(difluoromethyl)-5-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]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(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]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YQBFUTVYQWXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N5O2/c1-13-10-19(20(27)28)33-21(30-13)16(12-29-33)22(34)31-15-4-6-24(7-5-15)8-9-32(23(24)35)18-3-2-14(26)11-17(18)25/h2-3,10-12,15,20H,4-9H2,1H3,(H,31,34).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 505.93 g/mol, XLogP of 4.86, 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)-1-oxo-2-azaspiro[4.5]decan-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122672411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).