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

C25H31N5O3S — CID 56598634

IUPACN-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(C4CC4)n3n2)c1
InChIInChI=1S/C25H31N5O3S/c1-15-8-11-20(28-34(4,32)33)19(13-15)25(31)29-12-6-5-7-22(29)21-14-23-26-17(3)16(2)24(18-9-10-18)30(23)27-21/h8,11,13-14,18,22,28H,5-7,9-10,12H2,1-4H3/t22-/m0/s1
InChIKeyIAFNFBXHMHTBRV-QFIPXVFZSA-N
MW481.62 g/mol
LogP4.27
Rot. Bonds5

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

N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (PubChem CID 56598634) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
PubChem CID56598634
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC NameN-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(C4CC4)n3n2)c1
InChIInChI=1S/C25H31N5O3S/c1-15-8-11-20(28-34(4,32)33)19(13-15)25(31)29-12-6-5-7-22(29)21-14-23-26-17(3)16(2)24(18-9-10-18)30(23)27-21/h8,11,13-14,18,22,28H,5-7,9-10,12H2,1-4H3/t22-/m0/s1
InChIKeyIAFNFBXHMHTBRV-QFIPXVFZSA-N
XLogP4.27
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (CID 56598634) is N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(C4CC4)n3n2)c1.
What is the InChIKey of N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The InChIKey is IAFNFBXHMHTBRV-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-15-8-11-20(28-34(4,32)33)19(13-15)25(31)29-12-6-5-7-22(29)21-14-23-26-17(3)16(2)24(18-9-10-18)30(23)27-21/h8,11,13-14,18,22,28H,5-7,9-10,12H2,1-4H3/t22-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 481.62 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(7-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 56598634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).