5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide

C25H22FN5O2S — CID 67193459

IUPAC5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)N=Cc1cnc2ccc(-c3cn(C)c4ccccc34)cn12
InChIInChI=1S/C25H22FN5O2S/c1-17-8-10-19(26)12-24(17)34(32,33)30(3)28-14-20-13-27-25-11-9-18(15-31(20)25)22-16-29(2)23-7-5-4-6-21(22)23/h4-16H,1-3H3
InChIKeyLGUKYIKQMJCQQF-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.60
Rot. Bonds5

About 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide

5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide (PubChem CID 67193459) has the molecular formula C25H22FN5O2S and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
PubChem CID67193459
Molecular FormulaC25H22FN5O2S
Molecular Weight475.55 g/mol
Exact Mass475.15
IUPAC Name5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)N=Cc1cnc2ccc(-c3cn(C)c4ccccc34)cn12
InChIInChI=1S/C25H22FN5O2S/c1-17-8-10-19(26)12-24(17)34(32,33)30(3)28-14-20-13-27-25-11-9-18(15-31(20)25)22-16-29(2)23-7-5-4-6-21(22)23/h4-16H,1-3H3
InChIKeyLGUKYIKQMJCQQF-UHFFFAOYSA-N
XLogP4.60
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide (CID 67193459) is 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(C)N=Cc1cnc2ccc(-c3cn(C)c4ccccc34)cn12.
What is the InChIKey of 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The InChIKey is LGUKYIKQMJCQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2S/c1-17-8-10-19(26)12-24(17)34(32,33)30(3)28-14-20-13-27-25-11-9-18(15-31(20)25)22-16-29(2)23-7-5-4-6-21(22)23/h4-16H,1-3H3.
What are the key properties of 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide has a molecular weight of 475.55 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 67193459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).