N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C21H23F2N5O4S — CID 134455504

IUPACN-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCO[C@H](C)c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)c(S(C)(=O)=O)c1
InChIInChI=1S/C21H23F2N5O4S/c1-10(32-2)12-6-7-13(15(8-12)33(3,30)31)24-14-9-16(26-21(29)11-4-5-11)25-19-17(14)27-20(28-19)18(22)23/h6-11,18H,4-5H2,1-3H3,(H3,24,25,26,27,28,29)/t10-/m1/s1
InChIKeyXYSLZDSCDGOAJZ-SNVBAGLBSA-N
MW479.51 g/mol
LogP4.10
Rot. Bonds8

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

N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455504) has the molecular formula C21H23F2N5O4S and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455504
Molecular FormulaC21H23F2N5O4S
Molecular Weight479.51 g/mol
Exact Mass479.14
IUPAC NameN-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCO[C@H](C)c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)c(S(C)(=O)=O)c1
InChIInChI=1S/C21H23F2N5O4S/c1-10(32-2)12-6-7-13(15(8-12)33(3,30)31)24-14-9-16(26-21(29)11-4-5-11)25-19-17(14)27-20(28-19)18(22)23/h6-11,18H,4-5H2,1-3H3,(H3,24,25,26,27,28,29)/t10-/m1/s1
InChIKeyXYSLZDSCDGOAJZ-SNVBAGLBSA-N
XLogP4.10
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455504) is N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CO[C@H](C)c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)c(S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is XYSLZDSCDGOAJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C21H23F2N5O4S/c1-10(32-2)12-6-7-13(15(8-12)33(3,30)31)24-14-9-16(26-21(29)11-4-5-11)25-19-17(14)27-20(28-19)18(22)23/h6-11,18H,4-5H2,1-3H3,(H3,24,25,26,27,28,29)/t10-/m1/s1.
What are the key properties of N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 479.51 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-7-[4-[(1R)-1-methoxyethyl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).