2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide

C30H34N4O3S — CID 15231327

IUPAC2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(c2ccc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)cc2)C(C)C)cc1
InChIInChI=1S/C30H34N4O3S/c1-18(2)26(30(35)33-38(36,37)25-14-6-19(3)7-15-25)23-10-8-22(9-11-23)17-34-28(24-12-13-24)32-27-20(4)16-21(5)31-29(27)34/h6-11,14-16,18,24,26H,12-13,17H2,1-5H3,(H,33,35)
InChIKeyFXRFHAKLNRNXCR-UHFFFAOYSA-N
MW530.69 g/mol
LogP5.53
Rot. Bonds8

About 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide

2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide (PubChem CID 15231327) has the molecular formula C30H34N4O3S and a molecular weight of 530.69 g/mol. Its IUPAC name is 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide
PubChem CID15231327
Molecular FormulaC30H34N4O3S
Molecular Weight530.69 g/mol
Exact Mass530.24
IUPAC Name2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(c2ccc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)cc2)C(C)C)cc1
InChIInChI=1S/C30H34N4O3S/c1-18(2)26(30(35)33-38(36,37)25-14-6-19(3)7-15-25)23-10-8-22(9-11-23)17-34-28(24-12-13-24)32-27-20(4)16-21(5)31-29(27)34/h6-11,14-16,18,24,26H,12-13,17H2,1-5H3,(H,33,35)
InChIKeyFXRFHAKLNRNXCR-UHFFFAOYSA-N
XLogP5.53
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.69
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide (CID 15231327) is 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)NC(=O)C(c2ccc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)cc2)C(C)C)cc1.
What is the InChIKey of 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is FXRFHAKLNRNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3S/c1-18(2)26(30(35)33-38(36,37)25-14-6-19(3)7-15-25)23-10-8-22(9-11-23)17-34-28(24-12-13-24)32-27-20(4)16-21(5)31-29(27)34/h6-11,14-16,18,24,26H,12-13,17H2,1-5H3,(H,33,35).
What are the key properties of 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide?
2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 530.69 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-N-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 15231327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).