4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C22H24FN3O3S — CID 90420918

IUPAC4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1ccc(F)c(-c2ccnc3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c1
InChIInChI=1S/C22H24FN3O3S/c1-14(2)29-16-4-5-20(23)18(12-16)17-6-9-24-22-19(17)13-21(25-22)15-7-10-26(11-8-15)30(3,27)28/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,24,25)
InChIKeyLVXRBQJSQOSVMX-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.20
Rot. Bonds5

About 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90420918) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90420918
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1ccc(F)c(-c2ccnc3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c1
InChIInChI=1S/C22H24FN3O3S/c1-14(2)29-16-4-5-20(23)18(12-16)17-6-9-24-22-19(17)13-21(25-22)15-7-10-26(11-8-15)30(3,27)28/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,24,25)
InChIKeyLVXRBQJSQOSVMX-UHFFFAOYSA-N
XLogP4.20
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90420918) is 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CC(C)Oc1ccc(F)c(-c2ccnc3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c1.
What is the InChIKey of 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LVXRBQJSQOSVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-14(2)29-16-4-5-20(23)18(12-16)17-6-9-24-22-19(17)13-21(25-22)15-7-10-26(11-8-15)30(3,27)28/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,24,25).
What are the key properties of 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 429.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90420918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).