methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate

C20H18FN3O4S — CID 135063129

IUPACmethyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate
SMILESCOC(=O)Cc1c2n(c3ncccc13)CC(NS(=O)(=O)c1ccc(F)cc1)C=C2
InChIInChI=1S/C20H18FN3O4S/c1-28-19(25)11-17-16-3-2-10-22-20(16)24-12-14(6-9-18(17)24)23-29(26,27)15-7-4-13(21)5-8-15/h2-10,14,23H,11-12H2,1H3
InChIKeyFFVIXQBKSMTVTO-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.26
Rot. Bonds5

About methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate

methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate (PubChem CID 135063129) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate
PubChem CID135063129
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Namemethyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate
SMILESCOC(=O)Cc1c2n(c3ncccc13)CC(NS(=O)(=O)c1ccc(F)cc1)C=C2
InChIInChI=1S/C20H18FN3O4S/c1-28-19(25)11-17-16-3-2-10-22-20(16)24-12-14(6-9-18(17)24)23-29(26,27)15-7-4-13(21)5-8-15/h2-10,14,23H,11-12H2,1H3
InChIKeyFFVIXQBKSMTVTO-UHFFFAOYSA-N
XLogP2.26
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate with MolForge

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Related Compounds

Fevipiprant
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Qav-680
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2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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2-(1-(3-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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[1-(4-Methanesulfinyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
CID 11530248
2-(2-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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2-(2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 11573475
[1-(4-Methanesulfonyl-3-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
CID 11575484
2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 11588648
[1-(4-ethanesulfonyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
CID 11603173

Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate?
The IUPAC name of methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate (CID 135063129) is methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate.
What is the SMILES notation for methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate?
The canonical SMILES for methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate is COC(=O)Cc1c2n(c3ncccc13)CC(NS(=O)(=O)c1ccc(F)cc1)C=C2.
What is the InChIKey of methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate?
The InChIKey is FFVIXQBKSMTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-28-19(25)11-17-16-3-2-10-22-20(16)24-12-14(6-9-18(17)24)23-29(26,27)15-7-4-13(21)5-8-15/h2-10,14,23H,11-12H2,1H3.
What are the key properties of methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate?
methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate has a molecular weight of 415.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-[(4-fluorophenyl)sulfonylamino]-8,9-dihydropyrido[3,2-b]indolizin-5-yl]acetate is sourced from PubChem (CID 135063129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).