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

C35H37N5O4 — CID 19064432

IUPAC3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc2[nH]cc(C3=CCN(CC(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NCc4ccccc4OC)CC3)c2c1
InChIInChI=1S/C35H37N5O4/c1-43-26-11-12-31-28(18-26)29(21-37-31)23-13-15-40(16-14-23)22-34(41)39-32(17-25-20-36-30-9-5-4-8-27(25)30)35(42)38-19-24-7-3-6-10-33(24)44-2/h3-13,18,20-21,32,36-37H,14-17,19,22H2,1-2H3,(H,38,42)(H,39,41)
InChIKeyXATLQWGXNNCIRA-UHFFFAOYSA-N
MW591.71 g/mol
LogP4.80
Rot. Bonds11

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

3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 19064432) has the molecular formula C35H37N5O4 and a molecular weight of 591.71 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID19064432
Molecular FormulaC35H37N5O4
Molecular Weight591.71 g/mol
Exact Mass591.28
IUPAC Name3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc2[nH]cc(C3=CCN(CC(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NCc4ccccc4OC)CC3)c2c1
InChIInChI=1S/C35H37N5O4/c1-43-26-11-12-31-28(18-26)29(21-37-31)23-13-15-40(16-14-23)22-34(41)39-32(17-25-20-36-30-9-5-4-8-27(25)30)35(42)38-19-24-7-3-6-10-33(24)44-2/h3-13,18,20-21,32,36-37H,14-17,19,22H2,1-2H3,(H,38,42)(H,39,41)
InChIKeyXATLQWGXNNCIRA-UHFFFAOYSA-N
XLogP4.80
TPSA111.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.71
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 19064432) is 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccc2[nH]cc(C3=CCN(CC(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NCc4ccccc4OC)CC3)c2c1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is XATLQWGXNNCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O4/c1-43-26-11-12-31-28(18-26)29(21-37-31)23-13-15-40(16-14-23)22-34(41)39-32(17-25-20-36-30-9-5-4-8-27(25)30)35(42)38-19-24-7-3-6-10-33(24)44-2/h3-13,18,20-21,32,36-37H,14-17,19,22H2,1-2H3,(H,38,42)(H,39,41).
What are the key properties of 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 591.71 g/mol, XLogP of 4.80, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 19064432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).