3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide

C26H29F2N3O2 — CID 25140648

IUPAC3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C26H29F2N3O2/c1-29-26(32)20-8-9-23(28)25-22(20)13-19(15-33-25)31(18-5-2-6-18)11-3-4-16-14-30-24-10-7-17(27)12-21(16)24/h7-10,12,14,18-19,30H,2-6,11,13,15H2,1H3,(H,29,32)
InChIKeyXRIBIYDLZXHJGK-UHFFFAOYSA-N
MW453.53 g/mol
LogP4.60
Rot. Bonds7

About 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide

3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 25140648) has the molecular formula C26H29F2N3O2 and a molecular weight of 453.53 g/mol. Its IUPAC name is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID25140648
Molecular FormulaC26H29F2N3O2
Molecular Weight453.53 g/mol
Exact Mass453.22
IUPAC Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C26H29F2N3O2/c1-29-26(32)20-8-9-23(28)25-22(20)13-19(15-33-25)31(18-5-2-6-18)11-3-4-16-14-30-24-10-7-17(27)12-21(16)24/h7-10,12,14,18-19,30H,2-6,11,13,15H2,1H3,(H,29,32)
InChIKeyXRIBIYDLZXHJGK-UHFFFAOYSA-N
XLogP4.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide 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 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide (CID 25140648) is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide is CNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2.
What is the InChIKey of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is XRIBIYDLZXHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O2/c1-29-26(32)20-8-9-23(28)25-22(20)13-19(15-33-25)31(18-5-2-6-18)11-3-4-16-14-30-24-10-7-17(27)12-21(16)24/h7-10,12,14,18-19,30H,2-6,11,13,15H2,1H3,(H,29,32).
What are the key properties of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 25140648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).