2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

C19H18F2N4O2 — CID 70873453

IUPAC2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCN(c1ncc(F)cn1)C1CCc2c(CC(=O)O)c3ccc(F)cn3c2C1
InChIInChI=1S/C19H18F2N4O2/c1-24(19-22-8-12(21)9-23-19)13-3-4-14-15(7-18(26)27)16-5-2-11(20)10-25(16)17(14)6-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H,26,27)
InChIKeyOUKHLGQASYJEBX-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.63
Rot. Bonds4

About 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (PubChem CID 70873453) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.

Molecular Properties

Compound Name2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
PubChem CID70873453
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCN(c1ncc(F)cn1)C1CCc2c(CC(=O)O)c3ccc(F)cn3c2C1
InChIInChI=1S/C19H18F2N4O2/c1-24(19-22-8-12(21)9-23-19)13-3-4-14-15(7-18(26)27)16-5-2-11(20)10-25(16)17(14)6-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H,26,27)
InChIKeyOUKHLGQASYJEBX-UHFFFAOYSA-N
XLogP2.63
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The IUPAC name of 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (CID 70873453) is 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.
What is the SMILES notation for 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The canonical SMILES for 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is CN(c1ncc(F)cn1)C1CCc2c(CC(=O)O)c3ccc(F)cn3c2C1.
What is the InChIKey of 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The InChIKey is OUKHLGQASYJEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-24(19-22-8-12(21)9-23-19)13-3-4-14-15(7-18(26)27)16-5-2-11(20)10-25(16)17(14)6-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H,26,27).
What are the key properties of 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is sourced from PubChem (CID 70873453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).