(11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

C27H37N7O3 — CID 156584074

IUPAC(11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCc1[nH]cnc1CN1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1
InChIInChI=1S/C27H37N7O3/c1-19(2)14-23-27(36)29-9-12-34-11-8-28-26(34)21-6-4-7-22(15-21)37-13-5-10-33(17-25(35)32-23)16-24-20(3)30-18-31-24/h4,6-8,11,15,18-19,23H,5,9-10,12-14,16-17H2,1-3H3,(H,29,36)(H,30,31)(H,32,35)/t23-/m1/s1
InChIKeyXESUEWBFJPYMMO-HSZRJFAPSA-N
MW507.64 g/mol
LogP2.51
Rot. Bonds4

About (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

(11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (PubChem CID 156584074) has the molecular formula C27H37N7O3 and a molecular weight of 507.64 g/mol. Its IUPAC name is (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
PubChem CID156584074
Molecular FormulaC27H37N7O3
Molecular Weight507.64 g/mol
Exact Mass507.30
IUPAC Name(11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCc1[nH]cnc1CN1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1
InChIInChI=1S/C27H37N7O3/c1-19(2)14-23-27(36)29-9-12-34-11-8-28-26(34)21-6-4-7-22(15-21)37-13-5-10-33(17-25(35)32-23)16-24-20(3)30-18-31-24/h4,6-8,11,15,18-19,23H,5,9-10,12-14,16-17H2,1-3H3,(H,29,36)(H,30,31)(H,32,35)/t23-/m1/s1
InChIKeyXESUEWBFJPYMMO-HSZRJFAPSA-N
XLogP2.51
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The IUPAC name of (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (CID 156584074) is (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.
What is the SMILES notation for (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The canonical SMILES for (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is Cc1[nH]cnc1CN1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1.
What is the InChIKey of (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The InChIKey is XESUEWBFJPYMMO-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H37N7O3/c1-19(2)14-23-27(36)29-9-12-34-11-8-28-26(34)21-6-4-7-22(15-21)37-13-5-10-33(17-25(35)32-23)16-24-20(3)30-18-31-24/h4,6-8,11,15,18-19,23H,5,9-10,12-14,16-17H2,1-3H3,(H,29,36)(H,30,31)(H,32,35)/t23-/m1/s1.
What are the key properties of (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
(11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione has a molecular weight of 507.64 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-[(5-methyl-1H-imidazol-4-yl)methyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is sourced from PubChem (CID 156584074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).