cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol

C23H29N5O4S — CID 134455944

IUPACcyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
SMILESCc1nc2nc(NC(O)C3CC3)cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C23H29N5O4S/c1-13-24-21-17(12-20(27-22(21)25-13)28-23(29)14-6-7-14)26-16-9-8-15(11-19(16)33(2,30)31)18-5-3-4-10-32-18/h8-9,11-12,14,18,23,29H,3-7,10H2,1-2H3,(H3,24,25,26,27,28)
InChIKeyWJMDDYBMMZNHSK-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.80
Rot. Bonds7

About cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol

cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol (PubChem CID 134455944) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol.

Molecular Properties

Compound Namecyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
PubChem CID134455944
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Namecyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
SMILESCc1nc2nc(NC(O)C3CC3)cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C23H29N5O4S/c1-13-24-21-17(12-20(27-22(21)25-13)28-23(29)14-6-7-14)26-16-9-8-15(11-19(16)33(2,30)31)18-5-3-4-10-32-18/h8-9,11-12,14,18,23,29H,3-7,10H2,1-2H3,(H3,24,25,26,27,28)
InChIKeyWJMDDYBMMZNHSK-UHFFFAOYSA-N
XLogP3.80
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol 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 cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol?
The IUPAC name of cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol (CID 134455944) is cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol.
What is the SMILES notation for cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol?
The canonical SMILES for cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol is Cc1nc2nc(NC(O)C3CC3)cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol?
The InChIKey is WJMDDYBMMZNHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-13-24-21-17(12-20(27-22(21)25-13)28-23(29)14-6-7-14)26-16-9-8-15(11-19(16)33(2,30)31)18-5-3-4-10-32-18/h8-9,11-12,14,18,23,29H,3-7,10H2,1-2H3,(H3,24,25,26,27,28).
What are the key properties of cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol?
cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol has a molecular weight of 471.58 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol is sourced from PubChem (CID 134455944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).