N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C17H16F2N6O3S — CID 59418510

IUPACN-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1cnc2nc[nH]c2c1
InChIInChI=1S/C17H16F2N6O3S/c18-11-3-4-12(24-29(27,28)25-5-1-2-6-25)14(19)15(11)23-17(26)10-7-13-16(20-8-10)22-9-21-13/h3-4,7-9,24H,1-2,5-6H2,(H,23,26)(H,20,21,22)
InChIKeyQOKBYUJNOIAGPM-UHFFFAOYSA-N
MW422.42 g/mol
LogP2.24
Rot. Bonds5

About N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 59418510) has the molecular formula C17H16F2N6O3S and a molecular weight of 422.42 g/mol. Its IUPAC name is N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID59418510
Molecular FormulaC17H16F2N6O3S
Molecular Weight422.42 g/mol
Exact Mass422.10
IUPAC NameN-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1cnc2nc[nH]c2c1
InChIInChI=1S/C17H16F2N6O3S/c18-11-3-4-12(24-29(27,28)25-5-1-2-6-25)14(19)15(11)23-17(26)10-7-13-16(20-8-10)22-9-21-13/h3-4,7-9,24H,1-2,5-6H2,(H,23,26)(H,20,21,22)
InChIKeyQOKBYUJNOIAGPM-UHFFFAOYSA-N
XLogP2.24
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 59418501
6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418562
6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418536
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]pyrrolidine-1-sulfonamide
CID 127046080
N-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110858705
N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418513
N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418454
N-[2,6-difluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418546
N-(2,3-dichlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110864410
(3S)-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-hydroxypyrrolidine-1-sulfonamide
CID 127046082
N-(5-chloro-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110859642
N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide
CID 42647200

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 59418510) is N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(Nc1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1cnc2nc[nH]c2c1.
What is the InChIKey of N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QOKBYUJNOIAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O3S/c18-11-3-4-12(24-29(27,28)25-5-1-2-6-25)14(19)15(11)23-17(26)10-7-13-16(20-8-10)22-9-21-13/h3-4,7-9,24H,1-2,5-6H2,(H,23,26)(H,20,21,22).
What are the key properties of N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 59418510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).