2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

C22H20FN5O3S — CID 24784332

IUPAC2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1
InChIInChI=1S/C22H20FN5O3S/c1-32(30,31)28-17-8-2-14(3-9-17)10-12-25-22(29)18-11-13-24-21-19(18)26-20(27-21)15-4-6-16(23)7-5-15/h2-9,11,13,28H,10,12H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyDRCCBKPDCHOIJO-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.11
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24784332) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24784332
Molecular FormulaC22H20FN5O3S
Molecular Weight453.50 g/mol
Exact Mass453.13
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1
InChIInChI=1S/C22H20FN5O3S/c1-32(30,31)28-17-8-2-14(3-9-17)10-12-25-22(29)18-11-13-24-21-19(18)26-20(27-21)15-4-6-16(23)7-5-15/h2-9,11,13,28H,10,12H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyDRCCBKPDCHOIJO-UHFFFAOYSA-N
XLogP3.11
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24784332) is 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is DRCCBKPDCHOIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-32(30,31)28-17-8-2-14(3-9-17)10-12-25-22(29)18-11-13-24-21-19(18)26-20(27-21)15-4-6-16(23)7-5-15/h2-9,11,13,28H,10,12H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24784332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).