4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C31H35FN4O5S — CID 87055634

IUPAC4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2)c2cc(CN3CCC(N4CCOCC4)CC3)[nH]c2c1=O
InChIInChI=1S/C31H35FN4O5S/c1-34-20-28(26-18-25(42(2,38)39)7-8-29(26)41-24-5-3-21(32)4-6-24)27-17-22(33-30(27)31(34)37)19-35-11-9-23(10-12-35)36-13-15-40-16-14-36/h3-8,17-18,20,23,33H,9-16,19H2,1-2H3
InChIKeyMBBHMCNBAJAATA-UHFFFAOYSA-N
MW594.71 g/mol
LogP4.17
Rot. Bonds7

About 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 87055634) has the molecular formula C31H35FN4O5S and a molecular weight of 594.71 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID87055634
Molecular FormulaC31H35FN4O5S
Molecular Weight594.71 g/mol
Exact Mass594.23
IUPAC Name4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2)c2cc(CN3CCC(N4CCOCC4)CC3)[nH]c2c1=O
InChIInChI=1S/C31H35FN4O5S/c1-34-20-28(26-18-25(42(2,38)39)7-8-29(26)41-24-5-3-21(32)4-6-24)27-17-22(33-30(27)31(34)37)19-35-11-9-23(10-12-35)36-13-15-40-16-14-36/h3-8,17-18,20,23,33H,9-16,19H2,1-2H3
InChIKeyMBBHMCNBAJAATA-UHFFFAOYSA-N
XLogP4.17
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.71
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one 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-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 87055634) is 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2)c2cc(CN3CCC(N4CCOCC4)CC3)[nH]c2c1=O.
What is the InChIKey of 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MBBHMCNBAJAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O5S/c1-34-20-28(26-18-25(42(2,38)39)7-8-29(26)41-24-5-3-21(32)4-6-24)27-17-22(33-30(27)31(34)37)19-35-11-9-23(10-12-35)36-13-15-40-16-14-36/h3-8,17-18,20,23,33H,9-16,19H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 594.71 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 87055634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).