N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H32ClFN6O2 — CID 122672302

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(C(C)N(C)C)cnc2c(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)cnn12
InChIInChI=1S/C27H32ClFN6O2/c1-16(33(3)4)20-14-30-24-21(15-31-35(24)17(20)2)25(36)32-19-7-9-27(10-8-19)11-12-34(26(27)37)23-6-5-18(29)13-22(23)28/h5-6,13-16,19H,7-12H2,1-4H3,(H,32,36)
InChIKeyMYRDHXURXUPIKL-UHFFFAOYSA-N
MW527.04 g/mol
LogP4.55
Rot. Bonds5

About N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122672302) has the molecular formula C27H32ClFN6O2 and a molecular weight of 527.04 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-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]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122672302
Molecular FormulaC27H32ClFN6O2
Molecular Weight527.04 g/mol
Exact Mass526.23
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(C(C)N(C)C)cnc2c(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)cnn12
InChIInChI=1S/C27H32ClFN6O2/c1-16(33(3)4)20-14-30-24-21(15-31-35(24)17(20)2)25(36)32-19-7-9-27(10-8-19)11-12-34(26(27)37)23-6-5-18(29)13-22(23)28/h5-6,13-16,19H,7-12H2,1-4H3,(H,32,36)
InChIKeyMYRDHXURXUPIKL-UHFFFAOYSA-N
XLogP4.55
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.04
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-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]-6-[1-(dimethylamino)ethyl]-7-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]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122672302) is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-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]-6-[1-(dimethylamino)ethyl]-7-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]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(C(C)N(C)C)cnc2c(C(=O)NC3CCC4(CC3)CCN(c3ccc(F)cc3Cl)C4=O)cnn12.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MYRDHXURXUPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClFN6O2/c1-16(33(3)4)20-14-30-24-21(15-31-35(24)17(20)2)25(36)32-19-7-9-27(10-8-19)11-12-34(26(27)37)23-6-5-18(29)13-22(23)28/h5-6,13-16,19H,7-12H2,1-4H3,(H,32,36).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 527.04 g/mol, XLogP of 4.55, 5 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]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122672302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).