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

C17H18N4O2S — CID 53022556

IUPACN-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)c1
InChIInChI=1S/C17H18N4O2S/c1-12-4-2-5-14(10-12)24(22,23)19-11-16-20-15-6-3-9-18-17(15)21(16)13-7-8-13/h2-6,9-10,13,19H,7-8,11H2,1H3
InChIKeyJFQGQKBHGYHZOE-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.55
Rot. Bonds5

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

N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide (PubChem CID 53022556) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
PubChem CID53022556
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)c1
InChIInChI=1S/C17H18N4O2S/c1-12-4-2-5-14(10-12)24(22,23)19-11-16-20-15-6-3-9-18-17(15)21(16)13-7-8-13/h2-6,9-10,13,19H,7-8,11H2,1H3
InChIKeyJFQGQKBHGYHZOE-UHFFFAOYSA-N
XLogP2.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide (CID 53022556) is N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is JFQGQKBHGYHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-4-2-5-14(10-12)24(22,23)19-11-16-20-15-6-3-9-18-17(15)21(16)13-7-8-13/h2-6,9-10,13,19H,7-8,11H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide?
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 53022556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).