4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide

C19H17FN2O3S — CID 118897376

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCS(=O)(=O)CC3)cc12
InChIInChI=1S/C19H17FN2O3S/c1-25-18-3-2-13(20)10-15(18)14-4-7-21-19-16(14)11-17(22-19)12-5-8-26(23,24)9-6-12/h2-5,7,10-11H,6,8-9H2,1H3,(H,21,22)
InChIKeyIUYOYZMDPKJHIE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.58
Rot. Bonds3

About 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 118897376) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID118897376
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCS(=O)(=O)CC3)cc12
InChIInChI=1S/C19H17FN2O3S/c1-25-18-3-2-13(20)10-15(18)14-4-7-21-19-16(14)11-17(22-19)12-5-8-26(23,24)9-6-12/h2-5,7,10-11H,6,8-9H2,1H3,(H,21,22)
InChIKeyIUYOYZMDPKJHIE-UHFFFAOYSA-N
XLogP3.58
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide (CID 118897376) is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCS(=O)(=O)CC3)cc12.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is IUYOYZMDPKJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-25-18-3-2-13(20)10-15(18)14-4-7-21-19-16(14)11-17(22-19)12-5-8-26(23,24)9-6-12/h2-5,7,10-11H,6,8-9H2,1H3,(H,21,22).
What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide?
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 372.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 118897376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).