N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide

C19H22N4O5S — CID 71616873

IUPACN,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C19H22N4O5S/c1-22(2)29(25,26)13-8-15(18(21-9-13)28-12-5-7-27-11-12)16-10-23(3)19(24)17-14(16)4-6-20-17/h4,6,8-10,12,20H,5,7,11H2,1-3H3
InChIKeyBYVUXCOWLZMHNK-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.35
Rot. Bonds5

About N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide

N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide (PubChem CID 71616873) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
PubChem CID71616873
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C19H22N4O5S/c1-22(2)29(25,26)13-8-15(18(21-9-13)28-12-5-7-27-11-12)16-10-23(3)19(24)17-14(16)4-6-20-17/h4,6,8-10,12,20H,5,7,11H2,1-3H3
InChIKeyBYVUXCOWLZMHNK-UHFFFAOYSA-N
XLogP1.35
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide (CID 71616873) is N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cnc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The InChIKey is BYVUXCOWLZMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-22(2)29(25,26)13-8-15(18(21-9-13)28-12-5-7-27-11-12)16-10-23(3)19(24)17-14(16)4-6-20-17/h4,6,8-10,12,20H,5,7,11H2,1-3H3.
What are the key properties of N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide has a molecular weight of 418.48 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide is sourced from PubChem (CID 71616873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).