N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C18H18FN5O3S — CID 134455431

IUPACN-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C18H18FN5O3S/c1-9-20-16-13(22-12-6-5-11(19)7-14(12)28(2,26)27)8-15(23-17(16)21-9)24-18(25)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyOCSXLOZEAUAEGO-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.90
Rot. Bonds5

About N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455431) has the molecular formula C18H18FN5O3S and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455431
Molecular FormulaC18H18FN5O3S
Molecular Weight403.44 g/mol
Exact Mass403.11
IUPAC NameN-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C18H18FN5O3S/c1-9-20-16-13(22-12-6-5-11(19)7-14(12)28(2,26)27)8-15(23-17(16)21-9)24-18(25)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyOCSXLOZEAUAEGO-UHFFFAOYSA-N
XLogP2.90
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455431) is N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is Cc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is OCSXLOZEAUAEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S/c1-9-20-16-13(22-12-6-5-11(19)7-14(12)28(2,26)27)8-15(23-17(16)21-9)24-18(25)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).