2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

C34H34FN5O3 — CID 19064442

IUPAC2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C34H34FN5O3/c1-43-32-9-5-2-6-23(32)18-38-34(42)31(16-24-19-36-29-8-4-3-7-26(24)29)39-33(41)21-40-14-12-22(13-15-40)28-20-37-30-11-10-25(35)17-27(28)30/h2-12,17,19-20,31,36-37H,13-16,18,21H2,1H3,(H,38,42)(H,39,41)
InChIKeySANDYDTXFJEUHX-UHFFFAOYSA-N
MW579.68 g/mol
LogP4.93
Rot. Bonds10

About 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 19064442) has the molecular formula C34H34FN5O3 and a molecular weight of 579.68 g/mol. Its IUPAC name is 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID19064442
Molecular FormulaC34H34FN5O3
Molecular Weight579.68 g/mol
Exact Mass579.26
IUPAC Name2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C34H34FN5O3/c1-43-32-9-5-2-6-23(32)18-38-34(42)31(16-24-19-36-29-8-4-3-7-26(24)29)39-33(41)21-40-14-12-22(13-15-40)28-20-37-30-11-10-25(35)17-27(28)30/h2-12,17,19-20,31,36-37H,13-16,18,21H2,1H3,(H,38,42)(H,39,41)
InChIKeySANDYDTXFJEUHX-UHFFFAOYSA-N
XLogP4.93
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.68
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide 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-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 19064442) is 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is SANDYDTXFJEUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN5O3/c1-43-32-9-5-2-6-23(32)18-38-34(42)31(16-24-19-36-29-8-4-3-7-26(24)29)39-33(41)21-40-14-12-22(13-15-40)28-20-37-30-11-10-25(35)17-27(28)30/h2-12,17,19-20,31,36-37H,13-16,18,21H2,1H3,(H,38,42)(H,39,41).
What are the key properties of 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 579.68 g/mol, XLogP of 4.93, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 19064442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).