N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide

C24H22FN5O3S — CID 90116656

IUPACN-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)N5CCCC5)c4F)c3c2)cn1
InChIInChI=1S/C24H22FN5O3S/c1-15-7-8-16(12-26-15)17-11-19-20(14-28-24(19)27-13-17)23(31)18-5-4-6-21(22(18)25)29-34(32,33)30-9-2-3-10-30/h4-8,11-14,29H,2-3,9-10H2,1H3,(H,27,28)
InChIKeyWUIBXYHRWVTXQO-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.06
Rot. Bonds6

About N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide

N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide (PubChem CID 90116656) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide
PubChem CID90116656
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC NameN-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)N5CCCC5)c4F)c3c2)cn1
InChIInChI=1S/C24H22FN5O3S/c1-15-7-8-16(12-26-15)17-11-19-20(14-28-24(19)27-13-17)23(31)18-5-4-6-21(22(18)25)29-34(32,33)30-9-2-3-10-30/h4-8,11-14,29H,2-3,9-10H2,1H3,(H,27,28)
InChIKeyWUIBXYHRWVTXQO-UHFFFAOYSA-N
XLogP4.06
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide (CID 90116656) is N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide is Cc1ccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)N5CCCC5)c4F)c3c2)cn1.
What is the InChIKey of N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide?
The InChIKey is WUIBXYHRWVTXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-15-7-8-16(12-26-15)17-11-19-20(14-28-24(19)27-13-17)23(31)18-5-4-6-21(22(18)25)29-34(32,33)30-9-2-3-10-30/h4-8,11-14,29H,2-3,9-10H2,1H3,(H,27,28).
What are the key properties of N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide?
N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide has a molecular weight of 479.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 90116656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).