6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide

C26H27ClFN7O2 — CID 177378992

IUPAC6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide
SMILESO=C(CCCCCn1cc(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)cn1)NO
InChIInChI=1S/C26H27ClFN7O2/c27-22-16-30-25(32-20-15-31-35(17-20)11-3-1-2-10-26(36)34-37)13-21(22)23-8-5-9-24(33-23)29-14-18-6-4-7-19(28)12-18/h4-9,12-13,15-17,37H,1-3,10-11,14H2,(H,29,33)(H,30,32)(H,34,36)
InChIKeyJWFLWUCUZNXYBY-UHFFFAOYSA-N
MW524.00 g/mol
LogP5.55
Rot. Bonds12

About 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide

6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide (PubChem CID 177378992) has the molecular formula C26H27ClFN7O2 and a molecular weight of 524.00 g/mol. Its IUPAC name is 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide
PubChem CID177378992
Molecular FormulaC26H27ClFN7O2
Molecular Weight524.00 g/mol
Exact Mass523.19
IUPAC Name6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide
SMILESO=C(CCCCCn1cc(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)cn1)NO
InChIInChI=1S/C26H27ClFN7O2/c27-22-16-30-25(32-20-15-31-35(17-20)11-3-1-2-10-26(36)34-37)13-21(22)23-8-5-9-24(33-23)29-14-18-6-4-7-19(28)12-18/h4-9,12-13,15-17,37H,1-3,10-11,14H2,(H,29,33)(H,30,32)(H,34,36)
InChIKeyJWFLWUCUZNXYBY-UHFFFAOYSA-N
XLogP5.55
TPSA116.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.00
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide 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 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide (CID 177378992) is 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide is O=C(CCCCCn1cc(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)cn1)NO.
What is the InChIKey of 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide?
The InChIKey is JWFLWUCUZNXYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN7O2/c27-22-16-30-25(32-20-15-31-35(17-20)11-3-1-2-10-26(36)34-37)13-21(22)23-8-5-9-24(33-23)29-14-18-6-4-7-19(28)12-18/h4-9,12-13,15-17,37H,1-3,10-11,14H2,(H,29,33)(H,30,32)(H,34,36).
What are the key properties of 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide?
6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide has a molecular weight of 524.00 g/mol, XLogP of 5.55, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]pyrazol-1-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 177378992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).