3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide

C22H18F2N4O3 — CID 154631606

IUPAC3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(F)cc(-c4cnn(C)c4)c3F)c2c1
InChIInChI=1S/C22H18F2N4O3/c1-12(29)19-9-17(20-8-15(31-3)4-5-28(19)20)22(30)26-18-7-14(23)6-16(21(18)24)13-10-25-27(2)11-13/h4-11H,1-3H3,(H,26,30)
InChIKeyLRFDOXZJQREJOD-UHFFFAOYSA-N
MW424.41 g/mol
LogP4.08
Rot. Bonds5

About 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide

3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide (PubChem CID 154631606) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide
PubChem CID154631606
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(F)cc(-c4cnn(C)c4)c3F)c2c1
InChIInChI=1S/C22H18F2N4O3/c1-12(29)19-9-17(20-8-15(31-3)4-5-28(19)20)22(30)26-18-7-14(23)6-16(21(18)24)13-10-25-27(2)11-13/h4-11H,1-3H3,(H,26,30)
InChIKeyLRFDOXZJQREJOD-UHFFFAOYSA-N
XLogP4.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide 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 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
The IUPAC name of 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide (CID 154631606) is 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide.
What is the SMILES notation for 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
The canonical SMILES for 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide is COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(F)cc(-c4cnn(C)c4)c3F)c2c1.
What is the InChIKey of 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
The InChIKey is LRFDOXZJQREJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c1-12(29)19-9-17(20-8-15(31-3)4-5-28(19)20)22(30)26-18-7-14(23)6-16(21(18)24)13-10-25-27(2)11-13/h4-11H,1-3H3,(H,26,30).
What are the key properties of 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2,5-difluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide is sourced from PubChem (CID 154631606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).