formic acid;(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

C31H37N7O7 — CID 154917156

About formic acid;(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

formic acid;(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 154917156) has the molecular formula C31H37N7O7 and a molecular weight of 619.68 g/mol. Its IUPAC name is formic acid;(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: formic acid;(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: 154917156
• Molecular Formula: C31H37N7O7
• Molecular Weight: 619.68 g/mol
• Exact Mass: 619.28
• IUPAC Name: formic acid;(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
• SMILES: COc1ccc2cc1OCCN(C(=O)Cn1cc3ccccc3n1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.O=CO
• InChI: InChI=1S/C30H35N7O5.CH2O2/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;2-1-3/h4-10,12,16-17,20,28H,11,13-15,18-19H2,1-3H3,(H,32,40)(H,33,38);1H,(H,2,3)/t28-;/m1./s1
• InChIKey: AOHLTAOLIRCWKY-LNLSOMNWSA-N
• XLogP: 1.79
• TPSA: 169.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.68
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;(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 formic acid;(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 154917156) is formic acid;(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 formic acid;(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 formic acid;(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.O=CO.

What is the InChIKey of formic acid;(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 AOHLTAOLIRCWKY-LNLSOMNWSA-N. The full InChI is InChI=1S/C30H35N7O5.CH2O2/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;2-1-3/h4-10,12,16-17,20,28H,11,13-15,18-19H2,1-3H3,(H,32,40)(H,33,38);1H,(H,2,3)/t28-;/m1./s1.

What are the key properties of formic acid;(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?

formic acid;(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 619.68 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;(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 154917156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).