(2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

C25H22FN3O4S — CID 58065930

IUPAC(2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1ccccc1F)c1c[nH]c2ncc(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H22FN3O4S/c26-23-4-2-1-3-20(23)24(30)22-16-28-25-21(22)14-18(15-27-25)13-17-5-7-19(8-6-17)34(31,32)29-9-11-33-12-10-29/h1-8,14-16H,9-13H2,(H,27,28)
InChIKeyLVOYEBLUFFGYCG-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.54
Rot. Bonds6

About (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

(2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 58065930) has the molecular formula C25H22FN3O4S and a molecular weight of 479.53 g/mol. Its IUPAC name is (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID58065930
Molecular FormulaC25H22FN3O4S
Molecular Weight479.53 g/mol
Exact Mass479.13
IUPAC Name(2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1ccccc1F)c1c[nH]c2ncc(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H22FN3O4S/c26-23-4-2-1-3-20(23)24(30)22-16-28-25-21(22)14-18(15-27-25)13-17-5-7-19(8-6-17)34(31,32)29-9-11-33-12-10-29/h1-8,14-16H,9-13H2,(H,27,28)
InChIKeyLVOYEBLUFFGYCG-UHFFFAOYSA-N
XLogP3.54
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium
CID 9440631
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733
N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 56571984
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
N-(1-benzyl-1,2,4-triazol-3-yl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55856407
2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
CID 31030862
4-[5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122603045
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 58065930) is (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is O=C(c1ccccc1F)c1c[nH]c2ncc(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12.
What is the InChIKey of (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is LVOYEBLUFFGYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4S/c26-23-4-2-1-3-20(23)24(30)22-16-28-25-21(22)14-18(15-27-25)13-17-5-7-19(8-6-17)34(31,32)29-9-11-33-12-10-29/h1-8,14-16H,9-13H2,(H,27,28).
What are the key properties of (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
(2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 479.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[5-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 58065930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).