N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

C19H22N6O2S — CID 154760622

IUPACN-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESCC1CCCc2nc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCC5)cc3)cn21
InChIInChI=1S/C19H22N6O2S/c1-13-4-2-5-16-20-18(12-25(13)16)28(26,27)23-15-9-7-14(8-10-15)19-22-21-17-6-3-11-24(17)19/h7-10,12-13,23H,2-6,11H2,1H3
InChIKeyZBASXXNYOKYQIF-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (PubChem CID 154760622) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
PubChem CID154760622
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESCC1CCCc2nc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCC5)cc3)cn21
InChIInChI=1S/C19H22N6O2S/c1-13-4-2-5-16-20-18(12-25(13)16)28(26,27)23-15-9-7-14(8-10-15)19-22-21-17-6-3-11-24(17)19/h7-10,12-13,23H,2-6,11H2,1H3
InChIKeyZBASXXNYOKYQIF-UHFFFAOYSA-N
XLogP2.79
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide 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 N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (CID 154760622) is N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The canonical SMILES for N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is CC1CCCc2nc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCC5)cc3)cn21.
What is the InChIKey of N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The InChIKey is ZBASXXNYOKYQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-13-4-2-5-16-20-18(12-25(13)16)28(26,27)23-15-9-7-14(8-10-15)19-22-21-17-6-3-11-24(17)19/h7-10,12-13,23H,2-6,11H2,1H3.
What are the key properties of N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is sourced from PubChem (CID 154760622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).