1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine

C23H24FN3O2S — CID 46183213

IUPAC1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1cc(C2=CCC(N3CCCC3)CC2)c2ncccc21
InChIInChI=1S/C23H24FN3O2S/c24-18-5-3-6-20(15-18)30(28,29)27-16-21(23-22(27)7-4-12-25-23)17-8-10-19(11-9-17)26-13-1-2-14-26/h3-8,12,15-16,19H,1-2,9-11,13-14H2
InChIKeyOUNLSWVMJNSFGJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.44
Rot. Bonds4

About 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine

1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine (PubChem CID 46183213) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine
PubChem CID46183213
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1cc(C2=CCC(N3CCCC3)CC2)c2ncccc21
InChIInChI=1S/C23H24FN3O2S/c24-18-5-3-6-20(15-18)30(28,29)27-16-21(23-22(27)7-4-12-25-23)17-8-10-19(11-9-17)26-13-1-2-14-26/h3-8,12,15-16,19H,1-2,9-11,13-14H2
InChIKeyOUNLSWVMJNSFGJ-UHFFFAOYSA-N
XLogP4.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azetidin-1-yl)cyclohexen-1-yl]-1H-pyrrolo[3,2-b]pyridine;3-[4-(azetidin-1-yl)cyclohexen-1-yl]-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-b]pyridine;3-fluorobenzenesulfonyl chloride
CID 159598195
1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 25192016
1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 25192019
formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylpyrrolo[3,2-b]pyridine
CID 159076413
4-[4-[1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,4-oxazepane
CID 143731673
tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59259359
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]piperidin-4-amine
CID 46186703
2-[1-(4-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;formic acid
CID 158289704
2-[1-(2-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 46179326
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
5-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole
CID 68717284

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine (CID 46183213) is 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine is O=S(=O)(c1cccc(F)c1)n1cc(C2=CCC(N3CCCC3)CC2)c2ncccc21.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is OUNLSWVMJNSFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-18-5-3-6-20(15-18)30(28,29)27-16-21(23-22(27)7-4-12-25-23)17-8-10-19(11-9-17)26-13-1-2-14-26/h3-8,12,15-16,19H,1-2,9-11,13-14H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine?
1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 425.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 46183213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).