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

C20H18FN5O2S — CID 22965673

IUPAC2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C20H18FN5O2S/c21-15-3-1-14(2-4-15)19-18(13-7-10-23-11-8-13)16-5-6-17(24-20(16)25-19)26-29(27,28)12-9-22/h1-8,10-11H,9,12,22H2,(H2,24,25,26)
InChIKeyUHFXXKQFRBQPNC-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.13
Rot. Bonds6

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

2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide (PubChem CID 22965673) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide
PubChem CID22965673
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C20H18FN5O2S/c21-15-3-1-14(2-4-15)19-18(13-7-10-23-11-8-13)16-5-6-17(24-20(16)25-19)26-29(27,28)12-9-22/h1-8,10-11H,9,12,22H2,(H2,24,25,26)
InChIKeyUHFXXKQFRBQPNC-UHFFFAOYSA-N
XLogP3.13
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide (CID 22965673) is 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide is NCCS(=O)(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide?
The InChIKey is UHFXXKQFRBQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c21-15-3-1-14(2-4-15)19-18(13-7-10-23-11-8-13)16-5-6-17(24-20(16)25-19)26-29(27,28)12-9-22/h1-8,10-11H,9,12,22H2,(H2,24,25,26).
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide?
2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide has a molecular weight of 411.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]ethanesulfonamide is sourced from PubChem (CID 22965673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).