N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide

C15H24N6O2S — CID 131695615

IUPACN-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide
SMILESCc1cc(CN2Cc3ncn(C)c3CC2CNS(C)(=O)=O)n(C)n1
InChIInChI=1S/C15H24N6O2S/c1-11-5-13(20(3)18-11)8-21-9-14-15(19(2)10-16-14)6-12(21)7-17-24(4,22)23/h5,10,12,17H,6-9H2,1-4H3
InChIKeyHSEXXDYBDSPFPU-UHFFFAOYSA-N
MW352.46 g/mol
LogP-0.06
Rot. Bonds5

About N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide

N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide (PubChem CID 131695615) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide
PubChem CID131695615
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC NameN-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide
SMILESCc1cc(CN2Cc3ncn(C)c3CC2CNS(C)(=O)=O)n(C)n1
InChIInChI=1S/C15H24N6O2S/c1-11-5-13(20(3)18-11)8-21-9-14-15(19(2)10-16-14)6-12(21)7-17-24(4,22)23/h5,10,12,17H,6-9H2,1-4H3
InChIKeyHSEXXDYBDSPFPU-UHFFFAOYSA-N
XLogP-0.06
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide (CID 131695615) is N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide is Cc1cc(CN2Cc3ncn(C)c3CC2CNS(C)(=O)=O)n(C)n1.
What is the InChIKey of N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide?
The InChIKey is HSEXXDYBDSPFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-11-5-13(20(3)18-11)8-21-9-14-15(19(2)10-16-14)6-12(21)7-17-24(4,22)23/h5,10,12,17H,6-9H2,1-4H3.
What are the key properties of N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide?
N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide has a molecular weight of 352.46 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131695615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).