10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione

C27H30N6O3 — CID 166454273

IUPAC10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione
SMILESCC1CCCCNC(=O)c2cccc(c2)C(=O)Nc2nc3cccc(N4CCN(C5CC5)C4=O)c3n21
InChIInChI=1S/C27H30N6O3/c1-17-6-2-3-13-28-24(34)18-7-4-8-19(16-18)25(35)30-26-29-21-9-5-10-22(23(21)33(17)26)32-15-14-31(27(32)36)20-11-12-20/h4-5,7-10,16-17,20H,2-3,6,11-15H2,1H3,(H,28,34)(H,29,30,35)
InChIKeyYBTXPQIIGAFPOE-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.17
Rot. Bonds2

About 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione

10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione (PubChem CID 166454273) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione.

Molecular Properties

Compound Name10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione
PubChem CID166454273
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione
SMILESCC1CCCCNC(=O)c2cccc(c2)C(=O)Nc2nc3cccc(N4CCN(C5CC5)C4=O)c3n21
InChIInChI=1S/C27H30N6O3/c1-17-6-2-3-13-28-24(34)18-7-4-8-19(16-18)25(35)30-26-29-21-9-5-10-22(23(21)33(17)26)32-15-14-31(27(32)36)20-11-12-20/h4-5,7-10,16-17,20H,2-3,6,11-15H2,1H3,(H,28,34)(H,29,30,35)
InChIKeyYBTXPQIIGAFPOE-UHFFFAOYSA-N
XLogP4.17
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione?
The IUPAC name of 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione (CID 166454273) is 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione.
What is the SMILES notation for 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione?
The canonical SMILES for 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione is CC1CCCCNC(=O)c2cccc(c2)C(=O)Nc2nc3cccc(N4CCN(C5CC5)C4=O)c3n21.
What is the InChIKey of 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione?
The InChIKey is YBTXPQIIGAFPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-17-6-2-3-13-28-24(34)18-7-4-8-19(16-18)25(35)30-26-29-21-9-5-10-22(23(21)33(17)26)32-15-14-31(27(32)36)20-11-12-20/h4-5,7-10,16-17,20H,2-3,6,11-15H2,1H3,(H,28,34)(H,29,30,35).
What are the key properties of 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione?
10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione has a molecular weight of 486.58 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-13-methyl-3,5,12,18-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),4,6(11),7,9,20(24),21-heptaene-2,19-dione is sourced from PubChem (CID 166454273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).