methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate

C22H23FN2O4S — CID 91437114

IUPACmethyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate
SMILESCOC(=O)Cc1c2c(n3ccccc13)CC(N(C)S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H23FN2O4S/c1-24(30(27,28)17-9-6-15(23)7-10-17)16-8-11-18-19(14-22(26)29-2)20-5-3-4-12-25(20)21(18)13-16/h3-7,9-10,12,16H,8,11,13-14H2,1-2H3
InChIKeyLPDKDWNDPUJPOV-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.97
Rot. Bonds5

About methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate

methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate (PubChem CID 91437114) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate
PubChem CID91437114
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC Namemethyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate
SMILESCOC(=O)Cc1c2c(n3ccccc13)CC(N(C)S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H23FN2O4S/c1-24(30(27,28)17-9-6-15(23)7-10-17)16-8-11-18-19(14-22(26)29-2)20-5-3-4-12-25(20)21(18)13-16/h3-7,9-10,12,16H,8,11,13-14H2,1-2H3
InChIKeyLPDKDWNDPUJPOV-UHFFFAOYSA-N
XLogP2.97
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate with MolForge

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Related Compounds

2-[(3R)-3-[[2,2-bis(4-fluorophenyl)acetyl]-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 67310347
4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide
CID 58034236
2-[(3R)-3-[methyl-[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 67310390
ethyl 2-[9-[(4-fluorophenyl)sulfonylamino]-7,8,9,10-tetrahydropyrido[1,2-b]isoindol-6-yl]acetate
CID 58034229
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
methyl 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 14687304
ethyl (E)-3-[7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]prop-2-enoate
CID 86636091
methyl 2-[1-[(2R)-2-[(4-fluorophenyl)sulfonyl-methylamino]-4-hydroxybutyl]indol-3-yl]acetate
CID 58399165
2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 70873453
2-[(4-fluorophenyl)sulfonyl-[9-(3-hydroxy-3-methylbutyl)-1,2,3,4-tetrahydrocarbazol-3-yl]amino]acetic acid
CID 45107220
9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
CID 73348100
3-[8-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[4,3-b]indol-5-yl]propanoic acid
CID 67997629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate?
The IUPAC name of methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate (CID 91437114) is methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate?
The canonical SMILES for methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate is COC(=O)Cc1c2c(n3ccccc13)CC(N(C)S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate?
The InChIKey is LPDKDWNDPUJPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c1-24(30(27,28)17-9-6-15(23)7-10-17)16-8-11-18-19(14-22(26)29-2)20-5-3-4-12-25(20)21(18)13-16/h3-7,9-10,12,16H,8,11,13-14H2,1-2H3.
What are the key properties of methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate?
methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate has a molecular weight of 430.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate is sourced from PubChem (CID 91437114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).