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

C24H24FN5O2S — CID 175714717

IUPAC1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide
SMILESC=C(C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1)S(N)(=O)=O
InChIInChI=1S/C24H24FN5O2S/c1-15(33(26,31)32)16-4-8-19(9-5-16)30-14-29-22(17-2-6-18(25)7-3-17)23(30)20-10-12-27-24-21(20)11-13-28-24/h2-3,6-7,10-14,16,19H,1,4-5,8-9H2,(H,27,28)(H2,26,31,32)
InChIKeyXWRXHOWKXXTYFD-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.77
Rot. Bonds5

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

1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide (PubChem CID 175714717) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide
PubChem CID175714717
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide
SMILESC=C(C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1)S(N)(=O)=O
InChIInChI=1S/C24H24FN5O2S/c1-15(33(26,31)32)16-4-8-19(9-5-16)30-14-29-22(17-2-6-18(25)7-3-17)23(30)20-10-12-27-24-21(20)11-13-28-24/h2-3,6-7,10-14,16,19H,1,4-5,8-9H2,(H,27,28)(H2,26,31,32)
InChIKeyXWRXHOWKXXTYFD-UHFFFAOYSA-N
XLogP4.77
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide (CID 175714717) is 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide is C=C(C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1)S(N)(=O)=O.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide?
The InChIKey is XWRXHOWKXXTYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-15(33(26,31)32)16-4-8-19(9-5-16)30-14-29-22(17-2-6-18(25)7-3-17)23(30)20-10-12-27-24-21(20)11-13-28-24/h2-3,6-7,10-14,16,19H,1,4-5,8-9H2,(H,27,28)(H2,26,31,32).
What are the key properties of 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide?
1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide has a molecular weight of 465.55 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide is sourced from PubChem (CID 175714717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).