N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide

C22H20FN5O2 — CID 24514017

IUPACN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide
SMILESCc1ccn2cc(C(=O)NNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)nc2c1
InChIInChI=1S/C22H20FN5O2/c1-13-8-9-27-12-19(24-20(27)10-13)22(30)26-25-21(29)18-11-14(2)28(15(18)3)17-6-4-16(23)5-7-17/h4-12H,1-3H3,(H,25,29)(H,26,30)
InChIKeyLSTSWFGVXWYNSF-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.26
Rot. Bonds3

About N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide

N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide (PubChem CID 24514017) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide
PubChem CID24514017
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide
SMILESCc1ccn2cc(C(=O)NNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)nc2c1
InChIInChI=1S/C22H20FN5O2/c1-13-8-9-27-12-19(24-20(27)10-13)22(30)26-25-21(29)18-11-14(2)28(15(18)3)17-6-4-16(23)5-7-17/h4-12H,1-3H3,(H,25,29)(H,26,30)
InChIKeyLSTSWFGVXWYNSF-UHFFFAOYSA-N
XLogP3.26
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', '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 N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide (CID 24514017) is N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide is Cc1ccn2cc(C(=O)NNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)nc2c1.
What is the InChIKey of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide?
The InChIKey is LSTSWFGVXWYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-13-8-9-27-12-19(24-20(27)10-13)22(30)26-25-21(29)18-11-14(2)28(15(18)3)17-6-4-16(23)5-7-17/h4-12H,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide?
N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide has a molecular weight of 405.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide is sourced from PubChem (CID 24514017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).