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

C15H22N4O2S2 — CID 97405040

IUPACN-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN2CCc3c(CNS(C)(=O)=O)nn(C)c3C2)s1
InChIInChI=1S/C15H22N4O2S2/c1-11-4-5-12(22-11)9-19-7-6-13-14(8-16-23(3,20)21)17-18(2)15(13)10-19/h4-5,16H,6-10H2,1-3H3
InChIKeyPUVCIWURFGFANI-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.40
Rot. Bonds5

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

N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide (PubChem CID 97405040) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide
PubChem CID97405040
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN2CCc3c(CNS(C)(=O)=O)nn(C)c3C2)s1
InChIInChI=1S/C15H22N4O2S2/c1-11-4-5-12(22-11)9-19-7-6-13-14(8-16-23(3,20)21)17-18(2)15(13)10-19/h4-5,16H,6-10H2,1-3H3
InChIKeyPUVCIWURFGFANI-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide (CID 97405040) is N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide is Cc1ccc(CN2CCc3c(CNS(C)(=O)=O)nn(C)c3C2)s1.
What is the InChIKey of N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide?
The InChIKey is PUVCIWURFGFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-11-4-5-12(22-11)9-19-7-6-13-14(8-16-23(3,20)21)17-18(2)15(13)10-19/h4-5,16H,6-10H2,1-3H3.
What are the key properties of N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide?
N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide has a molecular weight of 354.50 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97405040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).