methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate

C19H26N4O6S — CID 177323705

IUPACmethyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCc3c(cnn3C3CCCCO3)C2)c(CO)n1C
InChIInChI=1S/C19H26N4O6S/c1-21-15(19(25)28-2)9-17(16(21)12-24)30(26,27)22-7-6-14-13(11-22)10-20-23(14)18-5-3-4-8-29-18/h9-10,18,24H,3-8,11-12H2,1-2H3
InChIKeyIZFRKNYBGJYGKL-UHFFFAOYSA-N
MW438.51 g/mol
LogP0.95
Rot. Bonds5

About methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate

methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate (PubChem CID 177323705) has the molecular formula C19H26N4O6S and a molecular weight of 438.51 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate
PubChem CID177323705
Molecular FormulaC19H26N4O6S
Molecular Weight438.51 g/mol
Exact Mass438.16
IUPAC Namemethyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCc3c(cnn3C3CCCCO3)C2)c(CO)n1C
InChIInChI=1S/C19H26N4O6S/c1-21-15(19(25)28-2)9-17(16(21)12-24)30(26,27)22-7-6-14-13(11-22)10-20-23(14)18-5-3-4-8-29-18/h9-10,18,24H,3-8,11-12H2,1-2H3
InChIKeyIZFRKNYBGJYGKL-UHFFFAOYSA-N
XLogP0.95
TPSA115.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate (CID 177323705) is methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N2CCc3c(cnn3C3CCCCO3)C2)c(CO)n1C.
What is the InChIKey of methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
The InChIKey is IZFRKNYBGJYGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6S/c1-21-15(19(25)28-2)9-17(16(21)12-24)30(26,27)22-7-6-14-13(11-22)10-20-23(14)18-5-3-4-8-29-18/h9-10,18,24H,3-8,11-12H2,1-2H3.
What are the key properties of methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate has a molecular weight of 438.51 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(hydroxymethyl)-1-methyl-4-[[1-(oxan-2-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate is sourced from PubChem (CID 177323705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).