1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C24H23F6N5O3S — CID 87129686

IUPAC1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCCC2)c2ncc(C(F)(F)F)cc12
InChIInChI=1S/C24H23F6N5O3S/c25-23(26,27)13-10-16-18(20(31)36)19(35(21(16)33-11-13)14-4-2-1-3-5-14)17-7-6-15(12-32-17)39(37,38)34-22(8-9-22)24(28,29)30/h6-7,10-12,14,34H,1-5,8-9H2,(H2,31,36)
InChIKeyVPMOZGDHHQVIAL-UHFFFAOYSA-N
MW575.54 g/mol
LogP5.09
Rot. Bonds6

About 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide

1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 87129686) has the molecular formula C24H23F6N5O3S and a molecular weight of 575.54 g/mol. Its IUPAC name is 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID87129686
Molecular FormulaC24H23F6N5O3S
Molecular Weight575.54 g/mol
Exact Mass575.14
IUPAC Name1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCCC2)c2ncc(C(F)(F)F)cc12
InChIInChI=1S/C24H23F6N5O3S/c25-23(26,27)13-10-16-18(20(31)36)19(35(21(16)33-11-13)14-4-2-1-3-5-14)17-7-6-15(12-32-17)39(37,38)34-22(8-9-22)24(28,29)30/h6-7,10-12,14,34H,1-5,8-9H2,(H2,31,36)
InChIKeyVPMOZGDHHQVIAL-UHFFFAOYSA-N
XLogP5.09
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.54
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 87129686) is 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide is NC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCCC2)c2ncc(C(F)(F)F)cc12.
What is the InChIKey of 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VPMOZGDHHQVIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N5O3S/c25-23(26,27)13-10-16-18(20(31)36)19(35(21(16)33-11-13)14-4-2-1-3-5-14)17-7-6-15(12-32-17)39(37,38)34-22(8-9-22)24(28,29)30/h6-7,10-12,14,34H,1-5,8-9H2,(H2,31,36).
What are the key properties of 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 575.54 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 87129686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).