8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide

C23H28FN5O2 — CID 90134013

IUPAC8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide
SMILESCn1ccc(N(CCCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1
InChIInChI=1S/C23H28FN5O2/c1-28-16-13-21(26-28)29(15-6-4-2-3-5-7-23(30)27-31)22-17-19(12-14-25-22)18-8-10-20(24)11-9-18/h8-14,16-17,31H,2-7,15H2,1H3,(H,27,30)
InChIKeyRQQWIHAMWSPVSE-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.61
Rot. Bonds11

About 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide

8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide (PubChem CID 90134013) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide.

Molecular Properties

Compound Name8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide
PubChem CID90134013
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide
SMILESCn1ccc(N(CCCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1
InChIInChI=1S/C23H28FN5O2/c1-28-16-13-21(26-28)29(15-6-4-2-3-5-7-23(30)27-31)22-17-19(12-14-25-22)18-8-10-20(24)11-9-18/h8-14,16-17,31H,2-7,15H2,1H3,(H,27,30)
InChIKeyRQQWIHAMWSPVSE-UHFFFAOYSA-N
XLogP4.61
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide?
The IUPAC name of 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide (CID 90134013) is 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide.
What is the SMILES notation for 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide?
The canonical SMILES for 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide is Cn1ccc(N(CCCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1.
What is the InChIKey of 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide?
The InChIKey is RQQWIHAMWSPVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-28-16-13-21(26-28)29(15-6-4-2-3-5-7-23(30)27-31)22-17-19(12-14-25-22)18-8-10-20(24)11-9-18/h8-14,16-17,31H,2-7,15H2,1H3,(H,27,30).
What are the key properties of 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide?
8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide has a molecular weight of 425.51 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyoctanamide is sourced from PubChem (CID 90134013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).