bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine

C62H72F2N6O6 — CID 161086475

IUPACbis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1-3.Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCC1)c1ccc(F)cc1-3.O=C=O.O=C=O
InChIInChI=1S/C30H34FN3O2.C30H38FN3.2CO2/c1-20-10-12-23-26(16-20)34-19-28(36)33(18-27(35)32-14-6-3-7-15-32)25-13-11-22(31)17-24(25)30(34)29(23)21-8-4-2-5-9-21;1-22-10-12-25-28(20-22)34-19-18-33(17-16-32-14-6-3-7-15-32)27-13-11-24(31)21-26(27)30(34)29(25)23-8-4-2-5-9-23;2*2-1-3/h10-13,16-17,21H,2-9,14-15,18-19H2,1H3;10-13,20-21,23H,2-9,14-19H2,1H3;;
InChIKeyUGOTXRFEQOWPPT-UHFFFAOYSA-N
MW1035.29 g/mol
LogP12.11
Rot. Bonds7

About bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine

bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine (PubChem CID 161086475) has the molecular formula C62H72F2N6O6 and a molecular weight of 1035.29 g/mol. Its IUPAC name is bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine.

Molecular Properties

Compound Namebis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine
PubChem CID161086475
Molecular FormulaC62H72F2N6O6
Molecular Weight1035.29 g/mol
Exact Mass1034.55
IUPAC Namebis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1-3.Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCC1)c1ccc(F)cc1-3.O=C=O.O=C=O
InChIInChI=1S/C30H34FN3O2.C30H38FN3.2CO2/c1-20-10-12-23-26(16-20)34-19-28(36)33(18-27(35)32-14-6-3-7-15-32)25-13-11-22(31)17-24(25)30(34)29(23)21-8-4-2-5-9-21;1-22-10-12-25-28(20-22)34-19-18-33(17-16-32-14-6-3-7-15-32)27-13-11-24(31)21-26(27)30(34)29(25)23-8-4-2-5-9-23;2*2-1-3/h10-13,16-17,21H,2-9,14-15,18-19H2,1H3;10-13,20-21,23H,2-9,14-19H2,1H3;;
InChIKeyUGOTXRFEQOWPPT-UHFFFAOYSA-N
XLogP12.11
TPSA125.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.29
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine?
The IUPAC name of bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine (CID 161086475) is bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine.
What is the SMILES notation for bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine?
The canonical SMILES for bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine is Cc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1-3.Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCC1)c1ccc(F)cc1-3.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine?
The InChIKey is UGOTXRFEQOWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O2.C30H38FN3.2CO2/c1-20-10-12-23-26(16-20)34-19-28(36)33(18-27(35)32-14-6-3-7-15-32)25-13-11-22(31)17-24(25)30(34)29(23)21-8-4-2-5-9-21;1-22-10-12-25-28(20-22)34-19-18-33(17-16-32-14-6-3-7-15-32)27-13-11-24(31)21-26(27)30(34)29(25)23-8-4-2-5-9-23;2*2-1-3/h10-13,16-17,21H,2-9,14-15,18-19H2,1H3;10-13,20-21,23H,2-9,14-19H2,1H3;;.
What are the key properties of bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine?
bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine has a molecular weight of 1035.29 g/mol, XLogP of 12.11, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine is sourced from PubChem (CID 161086475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).