3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C25H27N5O3S — CID 134328511

IUPAC3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(S(=O)(=O)C(C)(C)C)cn23)cn1
InChIInChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-18-7-8-18)11-20(16)21-14-29(15-27-21)23-12-26-22-10-9-19(13-30(22)23)34(32,33)25(2,3)4/h5-6,9-15,18H,7-8H2,1-4H3,(H,28,31)
InChIKeyOUASJXRUPLRIHZ-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.96
Rot. Bonds5

About 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134328511) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134328511
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(S(=O)(=O)C(C)(C)C)cn23)cn1
InChIInChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-18-7-8-18)11-20(16)21-14-29(15-27-21)23-12-26-22-10-9-19(13-30(22)23)34(32,33)25(2,3)4/h5-6,9-15,18H,7-8H2,1-4H3,(H,28,31)
InChIKeyOUASJXRUPLRIHZ-UHFFFAOYSA-N
XLogP3.96
TPSA98.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134328511) is 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(S(=O)(=O)C(C)(C)C)cn23)cn1.
What is the InChIKey of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is OUASJXRUPLRIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-18-7-8-18)11-20(16)21-14-29(15-27-21)23-12-26-22-10-9-19(13-30(22)23)34(32,33)25(2,3)4/h5-6,9-15,18H,7-8H2,1-4H3,(H,28,31).
What are the key properties of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 477.59 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)imidazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134328511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).