N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide

C17H18N4O3S — CID 53010998

IUPACN-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)cc1
InChIInChI=1S/C17H18N4O3S/c1-24-13-6-8-14(9-7-13)25(22,23)19-11-16-20-15-3-2-10-18-17(15)21(16)12-4-5-12/h2-3,6-10,12,19H,4-5,11H2,1H3
InChIKeyHZIPGGSDGSVAED-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.25
Rot. Bonds6

About N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide

N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 53010998) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID53010998
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)cc1
InChIInChI=1S/C17H18N4O3S/c1-24-13-6-8-14(9-7-13)25(22,23)19-11-16-20-15-3-2-10-18-17(15)21(16)12-4-5-12/h2-3,6-10,12,19H,4-5,11H2,1H3
InChIKeyHZIPGGSDGSVAED-UHFFFAOYSA-N
XLogP2.25
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide (CID 53010998) is N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)cc1.
What is the InChIKey of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is HZIPGGSDGSVAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-24-13-6-8-14(9-7-13)25(22,23)19-11-16-20-15-3-2-10-18-17(15)21(16)12-4-5-12/h2-3,6-10,12,19H,4-5,11H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 53010998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).