7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide

C22H26FN5O2 — CID 90134106

IUPAC7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide
SMILESCn1ccc(N(CCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1
InChIInChI=1S/C22H26FN5O2/c1-27-15-12-20(25-27)28(14-5-3-2-4-6-22(29)26-30)21-16-18(11-13-24-21)17-7-9-19(23)10-8-17/h7-13,15-16,30H,2-6,14H2,1H3,(H,26,29)
InChIKeyDMKMUYIOEGFWFU-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.22
Rot. Bonds10

About 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide

7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide (PubChem CID 90134106) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide
PubChem CID90134106
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide
SMILESCn1ccc(N(CCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1
InChIInChI=1S/C22H26FN5O2/c1-27-15-12-20(25-27)28(14-5-3-2-4-6-22(29)26-30)21-16-18(11-13-24-21)17-7-9-19(23)10-8-17/h7-13,15-16,30H,2-6,14H2,1H3,(H,26,29)
InChIKeyDMKMUYIOEGFWFU-UHFFFAOYSA-N
XLogP4.22
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.22
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 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide (CID 90134106) is 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide is Cn1ccc(N(CCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1.
What is the InChIKey of 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide?
The InChIKey is DMKMUYIOEGFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-27-15-12-20(25-27)28(14-5-3-2-4-6-22(29)26-30)21-16-18(11-13-24-21)17-7-9-19(23)10-8-17/h7-13,15-16,30H,2-6,14H2,1H3,(H,26,29).
What are the key properties of 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide?
7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide has a molecular weight of 411.48 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide is sourced from PubChem (CID 90134106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).