7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide

C25H34N6O3 — CID 118515681

IUPAC7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide
SMILESO=C(CCCCCCOc1ccc(Nc2cc(NC3CCCCC3)c3[nH]cnc3n2)cc1)NO
InChIInChI=1S/C25H34N6O3/c32-23(31-33)10-6-1-2-7-15-34-20-13-11-19(12-14-20)29-22-16-21(24-25(30-22)27-17-26-24)28-18-8-4-3-5-9-18/h11-14,16-18,33H,1-10,15H2,(H,31,32)(H3,26,27,28,29,30)
InChIKeyITEDAUMHAYBOIB-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.28
Rot. Bonds12

About 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide

7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide (PubChem CID 118515681) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide
PubChem CID118515681
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide
SMILESO=C(CCCCCCOc1ccc(Nc2cc(NC3CCCCC3)c3[nH]cnc3n2)cc1)NO
InChIInChI=1S/C25H34N6O3/c32-23(31-33)10-6-1-2-7-15-34-20-13-11-19(12-14-20)29-22-16-21(24-25(30-22)27-17-26-24)28-18-8-4-3-5-9-18/h11-14,16-18,33H,1-10,15H2,(H,31,32)(H3,26,27,28,29,30)
InChIKeyITEDAUMHAYBOIB-UHFFFAOYSA-N
XLogP5.28
TPSA124.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide 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 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide?
The IUPAC name of 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide (CID 118515681) is 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide is O=C(CCCCCCOc1ccc(Nc2cc(NC3CCCCC3)c3[nH]cnc3n2)cc1)NO.
What is the InChIKey of 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide?
The InChIKey is ITEDAUMHAYBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c32-23(31-33)10-6-1-2-7-15-34-20-13-11-19(12-14-20)29-22-16-21(24-25(30-22)27-17-26-24)28-18-8-4-3-5-9-18/h11-14,16-18,33H,1-10,15H2,(H,31,32)(H3,26,27,28,29,30).
What are the key properties of 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide?
7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide has a molecular weight of 466.59 g/mol, XLogP of 5.28, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide is sourced from PubChem (CID 118515681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).