N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

C18H23N5O2S — CID 131677621

IUPACN-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21
InChIInChI=1S/C18H23N5O2S/c1-26(24,25)21-10-6-16-13-22(12-15-5-9-20-23(15)16)11-14-3-2-4-18-17(14)7-8-19-18/h2-5,7-9,16,19,21H,6,10-13H2,1H3
InChIKeyUOKMVHUFPWZHCQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.86
Rot. Bonds6

About N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (PubChem CID 131677621) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
PubChem CID131677621
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21
InChIInChI=1S/C18H23N5O2S/c1-26(24,25)21-10-6-16-13-22(12-15-5-9-20-23(15)16)11-14-3-2-4-18-17(14)7-8-19-18/h2-5,7-9,16,19,21H,6,10-13H2,1H3
InChIKeyUOKMVHUFPWZHCQ-UHFFFAOYSA-N
XLogP1.86
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (CID 131677621) is N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21.
What is the InChIKey of N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
The InChIKey is UOKMVHUFPWZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-26(24,25)21-10-6-16-13-22(12-15-5-9-20-23(15)16)11-14-3-2-4-18-17(14)7-8-19-18/h2-5,7-9,16,19,21H,6,10-13H2,1H3.
What are the key properties of N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 131677621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).