1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C28H33N7O3 — CID 143851630

About 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 143851630) has the molecular formula C28H33N7O3 and a molecular weight of 515.62 g/mol. Its IUPAC name is 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 143851630
• Molecular Formula: C28H33N7O3
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.26
• IUPAC Name: 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: Cc1cc2c(c3cn[nH]c13)Cn1c(C(C)C)cnc1C1(CC(=O)N3CCC(N4CC(=O)NC4=O)CC3)CC21
• InChI: InChI=1S/C28H33N7O3/c1-15(2)22-12-29-26-28(10-24(37)33-6-4-17(5-7-33)34-14-23(36)31-27(34)38)9-21(28)18-8-16(3)25-19(11-30-32-25)20(18)13-35(22)26/h8,11-12,15,17,21H,4-7,9-10,13-14H2,1-3H3,(H,30,32)(H,31,36,38)
• InChIKey: XEHZIWPVBQGTLV-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 116.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 143851630) is 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1cc2c(c3cn[nH]c13)Cn1c(C(C)C)cnc1C1(CC(=O)N3CCC(N4CC(=O)NC4=O)CC3)CC21.

What is the InChIKey of 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is XEHZIWPVBQGTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3/c1-15(2)22-12-29-26-28(10-24(37)33-6-4-17(5-7-33)34-14-23(36)31-27(34)38)9-21(28)18-8-16(3)25-19(11-30-32-25)20(18)13-35(22)26/h8,11-12,15,17,21H,4-7,9-10,13-14H2,1-3H3,(H,30,32)(H,31,36,38).

What are the key properties of 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?

1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 515.62 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(17-methyl-8-propan-2-yl-6,9,14,15-tetrazapentacyclo[9.7.0.02,4.05,9.012,16]octadeca-1(11),5,7,12(16),13,17-hexaen-4-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143851630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).