N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

C23H27N5O3S — CID 58029400

IUPACN-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)ccn3n2)c1
InChIInChI=1S/C23H27N5O3S/c1-15-6-9-19(26-32(2,30)31)17(13-15)23(29)27-11-4-3-5-21(27)20-14-22-24-18(16-7-8-16)10-12-28(22)25-20/h6,9-10,12-14,16,21,26H,3-5,7-8,11H2,1-2H3/t21-/m0/s1
InChIKeyDTLBZAFGFPAYAT-NRFANRHFSA-N
MW453.57 g/mol
LogP3.65
Rot. Bonds5

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

N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (PubChem CID 58029400) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
PubChem CID58029400
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)ccn3n2)c1
InChIInChI=1S/C23H27N5O3S/c1-15-6-9-19(26-32(2,30)31)17(13-15)23(29)27-11-4-3-5-21(27)20-14-22-24-18(16-7-8-16)10-12-28(22)25-20/h6,9-10,12-14,16,21,26H,3-5,7-8,11H2,1-2H3/t21-/m0/s1
InChIKeyDTLBZAFGFPAYAT-NRFANRHFSA-N
XLogP3.65
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.65
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-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (CID 58029400) is N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-(5-cyclopropylpyrazolo[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(C4CC4)ccn3n2)c1.
What is the InChIKey of N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The InChIKey is DTLBZAFGFPAYAT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-15-6-9-19(26-32(2,30)31)17(13-15)23(29)27-11-4-3-5-21(27)20-14-22-24-18(16-7-8-16)10-12-28(22)25-20/h6,9-10,12-14,16,21,26H,3-5,7-8,11H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
N-[2-[(2S)-2-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 3.65, 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-(5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 58029400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).