1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide

C21H19FN4O2 — CID 97447425

IUPAC1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C21H19FN4O2/c1-28-13-11-23-21(27)19-10-12-26(24-19)20-9-8-18-7-4-16(14-25(18)20)15-2-5-17(22)6-3-15/h2-10,12,14H,11,13H2,1H3,(H,23,27)
InChIKeyVOSKMGVUBWBZGK-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.31
Rot. Bonds6

About 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide

1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 97447425) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID97447425
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C21H19FN4O2/c1-28-13-11-23-21(27)19-10-12-26(24-19)20-9-8-18-7-4-16(14-25(18)20)15-2-5-17(22)6-3-15/h2-10,12,14H,11,13H2,1H3,(H,23,27)
InChIKeyVOSKMGVUBWBZGK-UHFFFAOYSA-N
XLogP3.31
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxy-3-pyridinyl)pyrazole-3-carboxamide
CID 97362166
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 97362163
1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide
CID 97362064
1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362092
[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362180
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 97447409
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97410713
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 97362146
N-(6-methyl-3-pyridinyl)-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362114

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide (CID 97447425) is 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide is COCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1.
What is the InChIKey of 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is VOSKMGVUBWBZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-28-13-11-23-21(27)19-10-12-26(24-19)20-9-8-18-7-4-16(14-25(18)20)15-2-5-17(22)6-3-15/h2-10,12,14H,11,13H2,1H3,(H,23,27).
What are the key properties of 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide?
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 97447425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).