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

C23H21ClF3N5O2 — CID 122672275

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1cnn2ccc(C(F)F)nc12
InChIInChI=1S/C23H21ClF3N5O2/c24-16-11-13(25)1-2-18(16)31-10-8-23(22(31)34)6-3-14(4-7-23)29-21(33)15-12-28-32-9-5-17(19(26)27)30-20(15)32/h1-2,5,9,11-12,14,19H,3-4,6-8,10H2,(H,29,33)
InChIKeyLQXYWQSZOOEGSX-UHFFFAOYSA-N
MW491.90 g/mol
LogP4.56
Rot. Bonds4

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

N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122672275) has the molecular formula C23H21ClF3N5O2 and a molecular weight of 491.90 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)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-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122672275
Molecular FormulaC23H21ClF3N5O2
Molecular Weight491.90 g/mol
Exact Mass491.13
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1cnn2ccc(C(F)F)nc12
InChIInChI=1S/C23H21ClF3N5O2/c24-16-11-13(25)1-2-18(16)31-10-8-23(22(31)34)6-3-14(4-7-23)29-21(33)15-12-28-32-9-5-17(19(26)27)30-20(15)32/h1-2,5,9,11-12,14,19H,3-4,6-8,10H2,(H,29,33)
InChIKeyLQXYWQSZOOEGSX-UHFFFAOYSA-N
XLogP4.56
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)pyrazolo[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]-5-(difluoromethyl)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-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122672275) is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)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-(difluoromethyl)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-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1cnn2ccc(C(F)F)nc12.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LQXYWQSZOOEGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N5O2/c24-16-11-13(25)1-2-18(16)31-10-8-23(22(31)34)6-3-14(4-7-23)29-21(33)15-12-28-32-9-5-17(19(26)27)30-20(15)32/h1-2,5,9,11-12,14,19H,3-4,6-8,10H2,(H,29,33).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 491.90 g/mol, XLogP of 4.56, 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]-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122672275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).