1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one

C161H180N12O10 — CID 159962744

IUPAC1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one
SMILESCc1ccc2c(c1)cc(-c1ccccc1)n2CCCCCCCC(=O)/C=C/c1cccnc1.Cc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)CCc2cccnc2)c1.O=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cc(O)c(O)cc21.O=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cc3c(cc21)OCO3.[2H]C(C(=O)CCCCCCCn1ccc2cc(C)ccc21)C([2H])c1cccnc1
InChIInChI=1S/C30H30N2O3.C30H32N2O.C29H30N2O3.2C24H30N2O.C24H28N2O/c33-26(15-14-23-10-9-16-31-21-23)13-7-2-1-3-8-17-32-27(24-11-5-4-6-12-24)18-25-19-29-30(20-28(25)32)35-22-34-29;1-24-15-18-29-27(21-24)22-30(26-12-6-5-7-13-26)32(29)20-9-4-2-3-8-14-28(33)17-16-25-11-10-19-31-23-25;32-25(15-14-22-10-9-16-30-21-22)13-7-2-1-3-8-17-31-26(23-11-5-4-6-12-23)18-24-19-28(33)29(34)20-27(24)31;3*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/h4-6,9-12,14-16,18-21H,1-3,7-8,13,17,22H2;5-7,10-13,15-19,21-23H,2-4,8-9,14,20H2,1H3;4-6,9-12,14-16,18-21,33-34H,1-3,7-8,13,17H2;2*7-8,10,13-15,17-19H,2-6,9,11-12,16H2,1H3;7-8,10-15,17-19H,2-6,9,16H2,1H3/b15-14+;17-16+;15-14+;;;12-11+/i;;;11D,12D;;
InChIKeyODNSNMFUNWCXBA-FBOGIAFDSA-N
MW2445.30 g/mol
LogP39.17
Rot. Bonds65

About 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one

1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one (PubChem CID 159962744) has the molecular formula C161H180N12O10 and a molecular weight of 2445.30 g/mol. Its IUPAC name is 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one.

Molecular Properties

Compound Name1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one
PubChem CID159962744
Molecular FormulaC161H180N12O10
Molecular Weight2445.30 g/mol
Exact Mass2443.41
IUPAC Name1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one
SMILESCc1ccc2c(c1)cc(-c1ccccc1)n2CCCCCCCC(=O)/C=C/c1cccnc1.Cc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)CCc2cccnc2)c1.O=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cc(O)c(O)cc21.O=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cc3c(cc21)OCO3.[2H]C(C(=O)CCCCCCCn1ccc2cc(C)ccc21)C([2H])c1cccnc1
InChIInChI=1S/C30H30N2O3.C30H32N2O.C29H30N2O3.2C24H30N2O.C24H28N2O/c33-26(15-14-23-10-9-16-31-21-23)13-7-2-1-3-8-17-32-27(24-11-5-4-6-12-24)18-25-19-29-30(20-28(25)32)35-22-34-29;1-24-15-18-29-27(21-24)22-30(26-12-6-5-7-13-26)32(29)20-9-4-2-3-8-14-28(33)17-16-25-11-10-19-31-23-25;32-25(15-14-22-10-9-16-30-21-22)13-7-2-1-3-8-17-31-26(23-11-5-4-6-12-23)18-24-19-28(33)29(34)20-27(24)31;3*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/h4-6,9-12,14-16,18-21H,1-3,7-8,13,17,22H2;5-7,10-13,15-19,21-23H,2-4,8-9,14,20H2,1H3;4-6,9-12,14-16,18-21,33-34H,1-3,7-8,13,17H2;2*7-8,10,13-15,17-19H,2-6,9,11-12,16H2,1H3;7-8,10-15,17-19H,2-6,9,16H2,1H3/b15-14+;17-16+;15-14+;;;12-11+/i;;;11D,12D;;
InChIKeyODNSNMFUNWCXBA-FBOGIAFDSA-N
XLogP39.17
TPSA268.26 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds65
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002445.30
LogP ≤ 539.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one?
The IUPAC name of 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one (CID 159962744) is 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one.
What is the SMILES notation for 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one?
The canonical SMILES for 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one is Cc1ccc2c(c1)cc(-c1ccccc1)n2CCCCCCCC(=O)/C=C/c1cccnc1.Cc1ccc2c(ccn2CCCCCCCC(=O)/C=C/c2cccnc2)c1.Cc1ccc2c(ccn2CCCCCCCC(=O)CCc2cccnc2)c1.O=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cc(O)c(O)cc21.O=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cc3c(cc21)OCO3.[2H]C(C(=O)CCCCCCCn1ccc2cc(C)ccc21)C([2H])c1cccnc1.
What is the InChIKey of 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one?
The InChIKey is ODNSNMFUNWCXBA-FBOGIAFDSA-N. The full InChI is InChI=1S/C30H30N2O3.C30H32N2O.C29H30N2O3.2C24H30N2O.C24H28N2O/c33-26(15-14-23-10-9-16-31-21-23)13-7-2-1-3-8-17-32-27(24-11-5-4-6-12-24)18-25-19-29-30(20-28(25)32)35-22-34-29;1-24-15-18-29-27(21-24)22-30(26-12-6-5-7-13-26)32(29)20-9-4-2-3-8-14-28(33)17-16-25-11-10-19-31-23-25;32-25(15-14-22-10-9-16-30-21-22)13-7-2-1-3-8-17-31-26(23-11-5-4-6-12-23)18-24-19-28(33)29(34)20-27(24)31;3*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/h4-6,9-12,14-16,18-21H,1-3,7-8,13,17,22H2;5-7,10-13,15-19,21-23H,2-4,8-9,14,20H2,1H3;4-6,9-12,14-16,18-21,33-34H,1-3,7-8,13,17H2;2*7-8,10,13-15,17-19H,2-6,9,11-12,16H2,1H3;7-8,10-15,17-19H,2-6,9,16H2,1H3/b15-14+;17-16+;15-14+;;;12-11+/i;;;11D,12D;;.
What are the key properties of 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one?
1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one has a molecular weight of 2445.30 g/mol, XLogP of 39.17, 65 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one is sourced from PubChem (CID 159962744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).