N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C24H25N5O4S — CID 134456677

IUPACN-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(-c4oc(C)cc4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C24H25N5O4S/c1-12-9-13(2)33-22(12)16-7-8-17(19(10-16)34(4,31)32)27-18-11-20(29-24(30)15-5-6-15)28-23-21(18)25-14(3)26-23/h7-11,15H,5-6H2,1-4H3,(H3,25,26,27,28,29,30)
InChIKeySBBQCCLKXZXASX-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.64
Rot. Bonds6

About N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456677) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134456677
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(-c4oc(C)cc4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C24H25N5O4S/c1-12-9-13(2)33-22(12)16-7-8-17(19(10-16)34(4,31)32)27-18-11-20(29-24(30)15-5-6-15)28-23-21(18)25-14(3)26-23/h7-11,15H,5-6H2,1-4H3,(H3,25,26,27,28,29,30)
InChIKeySBBQCCLKXZXASX-UHFFFAOYSA-N
XLogP4.64
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456014
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456409
N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455410
N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134495675
N-[7-(2-dimethylphosphorylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455389
N-[2-(difluoromethyl)-7-[4-(3-methylpyrazol-1-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455711
N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334549
N-[2-(difluoromethyl)-7-[4-(1,4-dioxan-2-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456300
cis-(1R,2R)-N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455293
N-[7-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455289
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-(N,S-dimethylsulfonimidoyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334432
cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
CID 134455944

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456677) is N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is Cc1nc2nc(NC(=O)C3CC3)cc(Nc3ccc(-c4oc(C)cc4C)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is SBBQCCLKXZXASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-12-9-13(2)33-22(12)16-7-8-17(19(10-16)34(4,31)32)27-18-11-20(29-24(30)15-5-6-15)28-23-21(18)25-14(3)26-23/h7-11,15H,5-6H2,1-4H3,(H3,25,26,27,28,29,30).
What are the key properties of N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 479.56 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).