9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)

C141H170N12O10 — CID 160951100

IUPAC9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)
SMILESCc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)CCc2cccnc2)c1.O=C(CCCCCCCn1ccc2cc(O)ccc21)CCc1cccnc1.[2H]C(C(=O)CCCCCCC(=O)N1CCc2cc(O)ccc21)C([2H])c1cccnc1.[2H]C(C(=O)CCCCCCCn1ccc2cc(O)ccc21)C([2H])c1cccnc1
InChIInChI=1S/C24H30N2O.2C24H28N2O.C23H28N2O3.2C23H28N2O2/c3*1-20-10-13-24-22(18-20)14-17-26(24)16-6-4-2-3-5-9-23(27)12-11-21-8-7-15-25-19-21;26-20(10-9-18-6-5-14-24-17-18)7-3-1-2-4-8-23(28)25-15-13-19-16-21(27)11-12-22(19)25;2*26-21(10-9-19-7-6-14-24-18-19)8-4-2-1-3-5-15-25-16-13-20-17-22(27)11-12-23(20)25/h7-8,10,13-15,17-19H,2-6,9,11-12,16H2,1H3;2*7-8,10-15,17-19H,2-6,9,16H2,1H3;5-6,11-12,14,16-17,27H,1-4,7-10,13,15H2;2*6-7,11-14,16-18,27H,1-5,8-10,15H2/b;2*12-11+;;;/i;;;2*9D,10D;
InChIKeySVTRLGVHOHPXGF-GJGCHVBNSA-N
MW2197.01 g/mol
LogP32.61
Rot. Bonds63

About 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)

9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one) (PubChem CID 160951100) has the molecular formula C141H170N12O10 and a molecular weight of 2197.01 g/mol. Its IUPAC name is 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one).

Molecular Properties

Compound Name9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)
PubChem CID160951100
Molecular FormulaC141H170N12O10
Molecular Weight2197.01 g/mol
Exact Mass2195.34
IUPAC Name9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)
SMILESCc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)CCc2cccnc2)c1.O=C(CCCCCCCn1ccc2cc(O)ccc21)CCc1cccnc1.[2H]C(C(=O)CCCCCCC(=O)N1CCc2cc(O)ccc21)C([2H])c1cccnc1.[2H]C(C(=O)CCCCCCCn1ccc2cc(O)ccc21)C([2H])c1cccnc1
InChIInChI=1S/C24H30N2O.2C24H28N2O.C23H28N2O3.2C23H28N2O2/c3*1-20-10-13-24-22(18-20)14-17-26(24)16-6-4-2-3-5-9-23(27)12-11-21-8-7-15-25-19-21;26-20(10-9-18-6-5-14-24-17-18)7-3-1-2-4-8-23(28)25-15-13-19-16-21(27)11-12-22(19)25;2*26-21(10-9-19-7-6-14-24-18-19)8-4-2-1-3-5-15-25-16-13-20-17-22(27)11-12-23(20)25/h7-8,10,13-15,17-19H,2-6,9,11-12,16H2,1H3;2*7-8,10-15,17-19H,2-6,9,16H2,1H3;5-6,11-12,14,16-17,27H,1-4,7-10,13,15H2;2*6-7,11-14,16-18,27H,1-5,8-10,15H2/b;2*12-11+;;;/i;;;2*9D,10D;
InChIKeySVTRLGVHOHPXGF-GJGCHVBNSA-N
XLogP32.61
TPSA285.41 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds63
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002197.01
LogP ≤ 532.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)?
The IUPAC name of 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one) (CID 160951100) is 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one).
What is the SMILES notation for 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)?
The canonical SMILES for 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one) is Cc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)CCc2cccnc2)c1.O=C(CCCCCCCn1ccc2cc(O)ccc21)CCc1cccnc1.[2H]C(C(=O)CCCCCCC(=O)N1CCc2cc(O)ccc21)C([2H])c1cccnc1.[2H]C(C(=O)CCCCCCCn1ccc2cc(O)ccc21)C([2H])c1cccnc1.
What is the InChIKey of 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)?
The InChIKey is SVTRLGVHOHPXGF-GJGCHVBNSA-N. The full InChI is InChI=1S/C24H30N2O.2C24H28N2O.C23H28N2O3.2C23H28N2O2/c3*1-20-10-13-24-22(18-20)14-17-26(24)16-6-4-2-3-5-9-23(27)12-11-21-8-7-15-25-19-21;26-20(10-9-18-6-5-14-24-17-18)7-3-1-2-4-8-23(28)25-15-13-19-16-21(27)11-12-22(19)25;2*26-21(10-9-19-7-6-14-24-18-19)8-4-2-1-3-5-15-25-16-13-20-17-22(27)11-12-23(20)25/h7-8,10,13-15,17-19H,2-6,9,11-12,16H2,1H3;2*7-8,10-15,17-19H,2-6,9,16H2,1H3;5-6,11-12,14,16-17,27H,1-4,7-10,13,15H2;2*6-7,11-14,16-18,27H,1-5,8-10,15H2/b;2*12-11+;;;/i;;;2*9D,10D;.
What are the key properties of 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)?
9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one) has a molecular weight of 2197.01 g/mol, XLogP of 32.61, 63 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one) is sourced from PubChem (CID 160951100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).