N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide

C19H21FN4O3S — CID 138561914

IUPACN-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(NC(=O)C(C)C)nc3[nH]ccc23)cc1F
InChIInChI=1S/C19H21FN4O3S/c1-4-28(26,27)24-16-6-5-12(9-15(16)20)14-10-17(23-19(25)11(2)3)22-18-13(14)7-8-21-18/h5-11,24H,4H2,1-3H3,(H2,21,22,23,25)
InChIKeyUAWHFQUYMDFQRV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.73
Rot. Bonds6

About N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide

N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide (PubChem CID 138561914) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide
PubChem CID138561914
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC NameN-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(NC(=O)C(C)C)nc3[nH]ccc23)cc1F
InChIInChI=1S/C19H21FN4O3S/c1-4-28(26,27)24-16-6-5-12(9-15(16)20)14-10-17(23-19(25)11(2)3)22-18-13(14)7-8-21-18/h5-11,24H,4H2,1-3H3,(H2,21,22,23,25)
InChIKeyUAWHFQUYMDFQRV-UHFFFAOYSA-N
XLogP3.73
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopentanecarboxamide
CID 138561457
N-[4-[3-fluoro-4-(morpholin-4-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560994
N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide
CID 175807758
N-[4-[4-[amino(propylsulfonyl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561553
N-[4-[4-[[1-(3,5-difluorobenzoyl)piperidin-4-yl]amino]-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560831
N-[4-[4-(cyclohexylmethylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138565848
N-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138563380
N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide
CID 175807888
N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560723
N-[4-[2-cyano-4-(propylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560804
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-[4-[4-(ethylsulfanylamino)-3-fluorophenyl]-1-propylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138572133

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide (CID 138561914) is N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide is CCS(=O)(=O)Nc1ccc(-c2cc(NC(=O)C(C)C)nc3[nH]ccc23)cc1F.
What is the InChIKey of N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide?
The InChIKey is UAWHFQUYMDFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-4-28(26,27)24-16-6-5-12(9-15(16)20)14-10-17(23-19(25)11(2)3)22-18-13(14)7-8-21-18/h5-11,24H,4H2,1-3H3,(H2,21,22,23,25).
What are the key properties of N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide?
N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide has a molecular weight of 404.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylsulfonylamino)-3-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpropanamide is sourced from PubChem (CID 138561914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).