N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide

C23H24FN5O2S — CID 139552341

IUPACN-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C23H24FN5O2S/c1-32(30,31)28-17-6-8-18(9-7-17)29-14-27-21(15-2-4-16(24)5-3-15)22(29)19-10-12-25-23-20(19)11-13-26-23/h2-5,10-14,17-18,28H,6-9H2,1H3,(H,25,26)
InChIKeyGNPMCGNTWCIPBE-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.27
Rot. Bonds5

About N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide

N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide (PubChem CID 139552341) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
PubChem CID139552341
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC NameN-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C23H24FN5O2S/c1-32(30,31)28-17-6-8-18(9-7-17)29-14-27-21(15-2-4-16(24)5-3-15)22(29)19-10-12-25-23-20(19)11-13-26-23/h2-5,10-14,17-18,28H,6-9H2,1H3,(H,25,26)
InChIKeyGNPMCGNTWCIPBE-UHFFFAOYSA-N
XLogP4.27
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide (CID 139552341) is N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?
The InChIKey is GNPMCGNTWCIPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-32(30,31)28-17-6-8-18(9-7-17)29-14-27-21(15-2-4-16(24)5-3-15)22(29)19-10-12-25-23-20(19)11-13-26-23/h2-5,10-14,17-18,28H,6-9H2,1H3,(H,25,26).
What are the key properties of N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?
N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide has a molecular weight of 453.54 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 139552341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).