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

C24H27ClFN5O3S — CID 118885552

IUPACN-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
SMILESCc1c(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(F)c3NS(C)(=O)=O)nn2c1C
InChIInChI=1S/C24H27ClFN5O3S/c1-13-14(2)31-21(27-22(13)15-7-8-15)12-19(28-31)20-6-4-5-9-30(20)24(32)17-10-16(25)11-18(26)23(17)29-35(3,33)34/h10-12,15,20,29H,4-9H2,1-3H3/t20-/m0/s1
InChIKeyHJXUOVXLTKGCKX-FQEVSTJZSA-N
MW520.03 g/mol
LogP4.75
Rot. Bonds5

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

N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide (PubChem CID 118885552) has the molecular formula C24H27ClFN5O3S and a molecular weight of 520.03 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
PubChem CID118885552
Molecular FormulaC24H27ClFN5O3S
Molecular Weight520.03 g/mol
Exact Mass519.15
IUPAC NameN-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
SMILESCc1c(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(F)c3NS(C)(=O)=O)nn2c1C
InChIInChI=1S/C24H27ClFN5O3S/c1-13-14(2)31-21(27-22(13)15-7-8-15)12-19(28-31)20-6-4-5-9-30(20)24(32)17-10-16(25)11-18(26)23(17)29-35(3,33)34/h10-12,15,20,29H,4-9H2,1-3H3/t20-/m0/s1
InChIKeyHJXUOVXLTKGCKX-FQEVSTJZSA-N
XLogP4.75
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.03
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
CID 123498807
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-chloro-6-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[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;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-(5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 159993980
N-[4-chloro-2-[2-[5-chloro-7-[3-(trifluoromethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 123156336
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-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol
CID 159442307
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
N-[2-[(2S)-2-[5-[(3R,4S)-3-amino-4-phenylcyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 122493413

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
The IUPAC name of 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) is N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide is Cc1c(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(F)c3NS(C)(=O)=O)nn2c1C.
What is the InChIKey of N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
The InChIKey is HJXUOVXLTKGCKX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27ClFN5O3S/c1-13-14(2)31-21(27-22(13)15-7-8-15)12-19(28-31)20-6-4-5-9-30(20)24(32)17-10-16(25)11-18(26)23(17)29-35(3,33)34/h10-12,15,20,29H,4-9H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide?
N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide has a molecular weight of 520.03 g/mol, XLogP of 4.75, 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-[(2S)-2-(5-cyclopropyl-6,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 118885552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).