N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide

C21H24FN5O4S — CID 58029809

IUPACN-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide
SMILESCc1nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C21H24FN5O4S/c1-12-13(2)23-19-11-17(24-27(19)20(12)28)18-6-4-5-9-26(18)21(29)15-8-7-14(22)10-16(15)25-32(3,30)31/h7-8,10-11,18,24-25H,4-6,9H2,1-3H3/t18-/m0/s1
InChIKeyQJABBOODGXOTEO-SFHVURJKSA-N
MW461.52 g/mol
LogP2.52
Rot. Bonds4

About N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide

N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide (PubChem CID 58029809) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide
PubChem CID58029809
Molecular FormulaC21H24FN5O4S
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC NameN-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide
SMILESCc1nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C21H24FN5O4S/c1-12-13(2)23-19-11-17(24-27(19)20(12)28)18-6-4-5-9-26(18)21(29)15-8-7-14(22)10-16(15)25-32(3,30)31/h7-8,10-11,18,24-25H,4-6,9H2,1-3H3/t18-/m0/s1
InChIKeyQJABBOODGXOTEO-SFHVURJKSA-N
XLogP2.52
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide with MolForge

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Related Compounds

CID 56597965
CID 56597965
CID 58029398
CID 58029398
CID 58029478
CID 58029478
CID 58029607
CID 58029607
CID 58029644
CID 58029644
CID 58029681
CID 58029681
CID 58029732
CID 58029732
CID 58029744
CID 58029744
CID 58029772
CID 58029772
CID 58029776
CID 58029776
CID 58029868
CID 58029868
CID 66624813
CID 66624813

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide (CID 58029809) is N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide is Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3NS(C)(=O)=O)[nH]n2c(=O)c1C.
What is the InChIKey of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide?
The InChIKey is QJABBOODGXOTEO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-12-13(2)23-19-11-17(24-27(19)20(12)28)18-6-4-5-9-26(18)21(29)15-8-7-14(22)10-16(15)25-32(3,30)31/h7-8,10-11,18,24-25H,4-6,9H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide?
N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide has a molecular weight of 461.52 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 58029809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).