2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid

C28H26FNO3 — CID 58760723

IUPAC2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid
SMILESCC(C)c1cc(F)cc2c1c(C(=O)c1ccc3ccccc3c1)c1n2CCCC1CC(=O)O
InChIInChI=1S/C28H26FNO3/c1-16(2)22-14-21(29)15-23-25(22)26(27-19(13-24(31)32)8-5-11-30(23)27)28(33)20-10-9-17-6-3-4-7-18(17)12-20/h3-4,6-7,9-10,12,14-16,19H,5,8,11,13H2,1-2H3,(H,31,32)
InChIKeyKMAIFHZRVVQYOD-UHFFFAOYSA-N
MW443.52 g/mol
LogP6.64
Rot. Bonds5

About 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid

2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid (PubChem CID 58760723) has the molecular formula C28H26FNO3 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid
PubChem CID58760723
Molecular FormulaC28H26FNO3
Molecular Weight443.52 g/mol
Exact Mass443.19
IUPAC Name2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid
SMILESCC(C)c1cc(F)cc2c1c(C(=O)c1ccc3ccccc3c1)c1n2CCCC1CC(=O)O
InChIInChI=1S/C28H26FNO3/c1-16(2)22-14-21(29)15-23-25(22)26(27-19(13-24(31)32)8-5-11-30(23)27)28(33)20-10-9-17-6-3-4-7-18(17)12-20/h3-4,6-7,9-10,12,14-16,19H,5,8,11,13H2,1-2H3,(H,31,32)
InChIKeyKMAIFHZRVVQYOD-UHFFFAOYSA-N
XLogP6.64
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid 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 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid?
The IUPAC name of 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid (CID 58760723) is 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid?
The canonical SMILES for 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid is CC(C)c1cc(F)cc2c1c(C(=O)c1ccc3ccccc3c1)c1n2CCCC1CC(=O)O.
What is the InChIKey of 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid?
The InChIKey is KMAIFHZRVVQYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FNO3/c1-16(2)22-14-21(29)15-23-25(22)26(27-19(13-24(31)32)8-5-11-30(23)27)28(33)20-10-9-17-6-3-4-7-18(17)12-20/h3-4,6-7,9-10,12,14-16,19H,5,8,11,13H2,1-2H3,(H,31,32).
What are the key properties of 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid?
2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid has a molecular weight of 443.52 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-10-(naphthalene-2-carbonyl)-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid is sourced from PubChem (CID 58760723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).