N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide

C21H25N5O3S — CID 135355362

IUPACN-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CC[C@@H](NS(C)(=O)=O)C2)cc1=O
InChIInChI=1S/C21H25N5O3S/c1-24-15-19(17-11-22-26(13-17)12-16-6-4-3-5-7-16)20(10-21(24)27)25-9-8-18(14-25)23-30(2,28)29/h3-7,10-11,13,15,18,23H,8-9,12,14H2,1-2H3/t18-/m1/s1
InChIKeyIDNQGQCLKNNCJE-GOSISDBHSA-N
MW427.53 g/mol
LogP1.42
Rot. Bonds6

About N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 135355362) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID135355362
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CC[C@@H](NS(C)(=O)=O)C2)cc1=O
InChIInChI=1S/C21H25N5O3S/c1-24-15-19(17-11-22-26(13-17)12-16-6-4-3-5-7-16)20(10-21(24)27)25-9-8-18(14-25)23-30(2,28)29/h3-7,10-11,13,15,18,23H,8-9,12,14H2,1-2H3/t18-/m1/s1
InChIKeyIDNQGQCLKNNCJE-GOSISDBHSA-N
XLogP1.42
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide (CID 135355362) is N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CC[C@@H](NS(C)(=O)=O)C2)cc1=O.
What is the InChIKey of N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IDNQGQCLKNNCJE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-24-15-19(17-11-22-26(13-17)12-16-6-4-3-5-7-16)20(10-21(24)27)25-9-8-18(14-25)23-30(2,28)29/h3-7,10-11,13,15,18,23H,8-9,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 135355362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).