5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one

C22H23N3O4S — CID 59161668

IUPAC5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one
SMILESCN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2cccc3c2CC(=O)CO3)c2cccnc12
InChIInChI=1S/C22H23N3O4S/c1-24-10-4-5-16(24)11-15-13-25(19-6-3-9-23-22(15)19)30(27,28)21-8-2-7-20-18(21)12-17(26)14-29-20/h2-3,6-9,13,16H,4-5,10-12,14H2,1H3/t16-/m1/s1
InChIKeyZICQGWFPLQPWON-MRXNPFEDSA-N
MW425.51 g/mol
LogP2.41
Rot. Bonds4

About 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one

5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one (PubChem CID 59161668) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one.

Molecular Properties

Compound Name5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one
PubChem CID59161668
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one
SMILESCN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2cccc3c2CC(=O)CO3)c2cccnc12
InChIInChI=1S/C22H23N3O4S/c1-24-10-4-5-16(24)11-15-13-25(19-6-3-9-23-22(15)19)30(27,28)21-8-2-7-20-18(21)12-17(26)14-29-20/h2-3,6-9,13,16H,4-5,10-12,14H2,1H3/t16-/m1/s1
InChIKeyZICQGWFPLQPWON-MRXNPFEDSA-N
XLogP2.41
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one 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 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one?
The IUPAC name of 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one (CID 59161668) is 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one.
What is the SMILES notation for 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one?
The canonical SMILES for 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one is CN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2cccc3c2CC(=O)CO3)c2cccnc12.
What is the InChIKey of 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one?
The InChIKey is ZICQGWFPLQPWON-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-24-10-4-5-16(24)11-15-13-25(19-6-3-9-23-22(15)19)30(27,28)21-8-2-7-20-18(21)12-17(26)14-29-20/h2-3,6-9,13,16H,4-5,10-12,14H2,1H3/t16-/m1/s1.
What are the key properties of 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one?
5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one has a molecular weight of 425.51 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one is sourced from PubChem (CID 59161668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).