(11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

C30H35N7O5 — CID 135093642

IUPAC(11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)Cn1cc3ccccc3n1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C30H35N7O5/c1-20(2)28-30(40)32-11-13-35-12-10-31-29(35)21-8-9-24(41-3)25(16-21)42-15-14-36(18-26(38)33-28)27(39)19-37-17-22-6-4-5-7-23(22)34-37/h4-10,12,16-17,20,28H,11,13-15,18-19H2,1-3H3,(H,32,40)(H,33,38)/t28-/m1/s1
InChIKeyWKJGYZDHOKWXJJ-MUUNZHRXSA-N
MW573.65 g/mol
LogP2.09
Rot. Bonds4

About (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

(11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (PubChem CID 135093642) has the molecular formula C30H35N7O5 and a molecular weight of 573.65 g/mol. Its IUPAC name is (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
PubChem CID135093642
Molecular FormulaC30H35N7O5
Molecular Weight573.65 g/mol
Exact Mass573.27
IUPAC Name(11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)Cn1cc3ccccc3n1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C30H35N7O5/c1-20(2)28-30(40)32-11-13-35-12-10-31-29(35)21-8-9-24(41-3)25(16-21)42-15-14-36(18-26(38)33-28)27(39)19-37-17-22-6-4-5-7-23(22)34-37/h4-10,12,16-17,20,28H,11,13-15,18-19H2,1-3H3,(H,32,40)(H,33,38)/t28-/m1/s1
InChIKeyWKJGYZDHOKWXJJ-MUUNZHRXSA-N
XLogP2.09
TPSA132.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The IUPAC name of (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (CID 135093642) is (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.
What is the SMILES notation for (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The canonical SMILES for (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is COc1ccc2cc1OCCN(C(=O)Cn1cc3ccccc3n1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The InChIKey is WKJGYZDHOKWXJJ-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H35N7O5/c1-20(2)28-30(40)32-11-13-35-12-10-31-29(35)21-8-9-24(41-3)25(16-21)42-15-14-36(18-26(38)33-28)27(39)19-37-17-22-6-4-5-7-23(22)34-37/h4-10,12,16-17,20,28H,11,13-15,18-19H2,1-3H3,(H,32,40)(H,33,38)/t28-/m1/s1.
What are the key properties of (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
(11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione has a molecular weight of 573.65 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-(2-indazol-2-ylacetyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is sourced from PubChem (CID 135093642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).