2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide

C28H23FN4O3 — CID 158130047

IUPAC2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4cnn(Cc5ccccc5)c4)c3F)c2c1
InChIInChI=1S/C28H23FN4O3/c1-18(34)23-17-32-12-11-21(36-2)13-25(32)26(23)28(35)31-24-10-6-9-22(27(24)29)20-14-30-33(16-20)15-19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3,(H,31,35)
InChIKeyFSQVXPMMEQUXKT-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.45
Rot. Bonds7

About 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide

2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide (PubChem CID 158130047) has the molecular formula C28H23FN4O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide
PubChem CID158130047
Molecular FormulaC28H23FN4O3
Molecular Weight482.52 g/mol
Exact Mass482.18
IUPAC Name2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4cnn(Cc5ccccc5)c4)c3F)c2c1
InChIInChI=1S/C28H23FN4O3/c1-18(34)23-17-32-12-11-21(36-2)13-25(32)26(23)28(35)31-24-10-6-9-22(27(24)29)20-14-30-33(16-20)15-19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3,(H,31,35)
InChIKeyFSQVXPMMEQUXKT-UHFFFAOYSA-N
XLogP5.45
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetyl-N-[5-chloro-2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxyindolizine-1-carboxamide
CID 157222184
2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide
CID 159354025
N-[1-(1-benzylpyrazol-4-yl)ethyl]-5-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
CID 166192226
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
N-(1-benzylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19397593
4-[(2,6-difluorobenzoyl)amino]-1-[(4-methoxyphenyl)methyl]-N-phenacylpyrazole-3-carboxamide
CID 58875042
methyl 4-(1-benzylpyrazol-4-yl)-5-chlorothiophene-2-carboxylate
CID 68761823
3-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide
CID 154631589

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide?
The IUPAC name of 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide (CID 158130047) is 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide.
What is the SMILES notation for 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide?
The canonical SMILES for 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide is COc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4cnn(Cc5ccccc5)c4)c3F)c2c1.
What is the InChIKey of 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide?
The InChIKey is FSQVXPMMEQUXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3/c1-18(34)23-17-32-12-11-21(36-2)13-25(32)26(23)28(35)31-24-10-6-9-22(27(24)29)20-14-30-33(16-20)15-19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3,(H,31,35).
What are the key properties of 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide?
2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[3-(1-benzylpyrazol-4-yl)-2-fluorophenyl]-7-methoxyindolizine-1-carboxamide is sourced from PubChem (CID 158130047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).