3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide

C21H25N5O3S — CID 167308072

IUPAC3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C(C)(C)O)nc2)c(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C21H25N5O3S/c1-21(2,27)19-9-6-14(12-23-19)24-17-8-7-15(30(28,29)22-3)11-16(17)18-13-26-10-4-5-20(26)25-18/h6-9,11-13,22,24,27H,4-5,10H2,1-3H3
InChIKeyIYHTTYPFMHBPNY-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.77
Rot. Bonds6

About 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide

3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide (PubChem CID 167308072) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide
PubChem CID167308072
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C(C)(C)O)nc2)c(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C21H25N5O3S/c1-21(2,27)19-9-6-14(12-23-19)24-17-8-7-15(30(28,29)22-3)11-16(17)18-13-26-10-4-5-20(26)25-18/h6-9,11-13,22,24,27H,4-5,10H2,1-3H3
InChIKeyIYHTTYPFMHBPNY-UHFFFAOYSA-N
XLogP2.77
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
3-(6,6-dimethyl-5,7-dihydropyrrolo[1,2-a]imidazol-2-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 167308272
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide
CID 171049336
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide
CID 171049359
N-methyl-3-nitro-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]benzenesulfonamide
CID 25326340
2,5-difluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283171
N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzenesulfonamide
CID 155343068
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283176
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122282784
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-sulfonamide
CID 122283247

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide (CID 167308072) is 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ccc(C(C)(C)O)nc2)c(-c2cn3c(n2)CCC3)c1.
What is the InChIKey of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide?
The InChIKey is IYHTTYPFMHBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-21(2,27)19-9-6-14(12-23-19)24-17-8-7-15(30(28,29)22-3)11-16(17)18-13-26-10-4-5-20(26)25-18/h6-9,11-13,22,24,27H,4-5,10H2,1-3H3.
What are the key properties of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide?
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 167308072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).