methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium

C56H48N10O6Ru — CID 59310563

IUPACmethyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(-c2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)OC)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C36H32N6O6.2C10H8N2.Ru/c1-47-35(45)31(17-23-19-39-27-9-5-3-7-25(23)27)41-33(43)21-11-13-37-29(15-21)30-16-22(12-14-38-30)34(44)42-32(36(46)48-2)18-24-20-40-28-10-6-4-8-26(24)28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-16,19-20,31-32,39-40H,17-18H2,1-2H3,(H,41,43)(H,42,44);2*1-8H;
InChIKeyIIZXTVDSXIBIHP-UHFFFAOYSA-N
MW1058.13 g/mol
LogP8.42
Rot. Bonds13

About methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium

methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59310563) has the molecular formula C56H48N10O6Ru and a molecular weight of 1058.13 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID59310563
Molecular FormulaC56H48N10O6Ru
Molecular Weight1058.13 g/mol
Exact Mass1058.28
IUPAC Namemethyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(-c2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)OC)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C36H32N6O6.2C10H8N2.Ru/c1-47-35(45)31(17-23-19-39-27-9-5-3-7-25(23)27)41-33(43)21-11-13-37-29(15-21)30-16-22(12-14-38-30)34(44)42-32(36(46)48-2)18-24-20-40-28-10-6-4-8-26(24)28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-16,19-20,31-32,39-40H,17-18H2,1-2H3,(H,41,43)(H,42,44);2*1-8H;
InChIKeyIIZXTVDSXIBIHP-UHFFFAOYSA-N
XLogP8.42
TPSA219.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.13
LogP ≤ 58.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium with MolForge

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Related Compounds

methyl (2S)-3-(1H-indol-3-yl)-2-[[2-[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]benzoyl]amino]propanoate
CID 11158003
Pwgf(CH2NH)wwfw
CID 44302261
methyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 381617
LU-Mono-WK
CID 16066583
LU-Mono-WL
CID 16066604
methyl (2S)-2-[[2,3-bis(2-pyridyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5276826
methyl (2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6477466
LU-Mono-WL-DP
CID 16129546
methyl (1R,3S)-2-[2-(1H-indol-3-yl)-2-oxoacetyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 52940870
methyl (1R,3R)-2-[2-(1H-indol-3-yl)-2-oxoacetyl]-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 52945647
methyl (1S,3S)-2-[2-(1H-indol-3-yl)-2-oxoacetyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 52945788
methyl (1R,3R)-1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)-2-oxoacetyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 52945798

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium (CID 59310563) is methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(-c2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)OC)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is IIZXTVDSXIBIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O6.2C10H8N2.Ru/c1-47-35(45)31(17-23-19-39-27-9-5-3-7-25(23)27)41-33(43)21-11-13-37-29(15-21)30-16-22(12-14-38-30)34(44)42-32(36(46)48-2)18-24-20-40-28-10-6-4-8-26(24)28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-16,19-20,31-32,39-40H,17-18H2,1-2H3,(H,41,43)(H,42,44);2*1-8H;.
What are the key properties of methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1058.13 g/mol, XLogP of 8.42, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59310563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).