N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide

C23H25ClFN5O3S — CID 123498807

IUPACN-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
SMILESCc1cc(C2CC2)nc2cc(C3CCCCN3C(=O)c3cc(Cl)cc(F)c3NS(C)(=O)=O)nn12
InChIInChI=1S/C23H25ClFN5O3S/c1-13-9-18(14-6-7-14)26-21-12-19(27-30(13)21)20-5-3-4-8-29(20)23(31)16-10-15(24)11-17(25)22(16)28-34(2,32)33/h9-12,14,20,28H,3-8H2,1-2H3
InChIKeyCRAIQFDKKCCHJG-UHFFFAOYSA-N
MW506.00 g/mol
LogP4.45
Rot. Bonds5

About N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide

N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide (PubChem CID 123498807) has the molecular formula C23H25ClFN5O3S and a molecular weight of 506.00 g/mol. Its IUPAC name is N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
PubChem CID123498807
Molecular FormulaC23H25ClFN5O3S
Molecular Weight506.00 g/mol
Exact Mass505.14
IUPAC NameN-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
SMILESCc1cc(C2CC2)nc2cc(C3CCCCN3C(=O)c3cc(Cl)cc(F)c3NS(C)(=O)=O)nn12
InChIInChI=1S/C23H25ClFN5O3S/c1-13-9-18(14-6-7-14)26-21-12-19(27-30(13)21)20-5-3-4-8-29(20)23(31)16-10-15(24)11-17(25)22(16)28-34(2,32)33/h9-12,14,20,28H,3-8H2,1-2H3
InChIKeyCRAIQFDKKCCHJG-UHFFFAOYSA-N
XLogP4.45
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.00
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
CID 118885552
N-[4-chloro-2-[(2S)-2-[5-(dimethylamino)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029509
tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexane-1-carboxylate
CID 58030192
N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 158372391
tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 58029531
N-[2-bromo-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]methanesulfonamide;N-[4-bromo-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-bromo-2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-[5,6-dimethyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 159931066
bis(N-[2-[(2S)-2-[7-(3-aminoazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide);N-[2-bromo-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 159804946
N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide
CID 58029853
N-[4-chloro-2-[(2S)-2-[7-morpholin-4-yl-5-(1,2-oxazolidin-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56598377
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 56598101
N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029553
N-[2-[(2S)-2-[7-(1-aminoazetidin-3-yl)-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029913

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide (CID 123498807) is N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide is Cc1cc(C2CC2)nc2cc(C3CCCCN3C(=O)c3cc(Cl)cc(F)c3NS(C)(=O)=O)nn12.
What is the InChIKey of N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
The InChIKey is CRAIQFDKKCCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3S/c1-13-9-18(14-6-7-14)26-21-12-19(27-30(13)21)20-5-3-4-8-29(20)23(31)16-10-15(24)11-17(25)22(16)28-34(2,32)33/h9-12,14,20,28H,3-8H2,1-2H3.
What are the key properties of N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide has a molecular weight of 506.00 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 123498807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).