(10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione

C33H37N7O6 — CID 155914211

About (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione

(10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione (PubChem CID 155914211) has the molecular formula C33H37N7O6 and a molecular weight of 627.70 g/mol. Its IUPAC name is (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione.

Molecular Properties

• Compound Name: (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione
• PubChem CID: 155914211
• Molecular Formula: C33H37N7O6
• Molecular Weight: 627.70 g/mol
• Exact Mass: 627.28
• IUPAC Name: (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione
• SMILES: COc1ccc(C(=O)N2CCNC(=O)c3ccc(OC)c(c3)OCCn3nc(-c4ccccc4)nc3[C@@H](C(C)C)NC(=O)C2)cn1
• InChI: InChI=1S/C33H37N7O6/c1-21(2)29-31-37-30(22-8-6-5-7-9-22)38-40(31)16-17-46-26-18-23(10-12-25(26)44-3)32(42)34-14-15-39(20-27(41)36-29)33(43)24-11-13-28(45-4)35-19-24/h5-13,18-19,21,29H,14-17,20H2,1-4H3,(H,34,42)(H,36,41)/t29-/m1/s1
• InChIKey: YJOKFYBWEVUYPA-GDLZYMKVSA-N
• XLogP: 3.14
• TPSA: 149.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.70
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The IUPAC name of (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione (CID 155914211) is (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione.

What is the SMILES notation for (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The canonical SMILES for (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione is COc1ccc(C(=O)N2CCNC(=O)c3ccc(OC)c(c3)OCCn3nc(-c4ccccc4)nc3[C@@H](C(C)C)NC(=O)C2)cn1.

What is the InChIKey of (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The InChIKey is YJOKFYBWEVUYPA-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H37N7O6/c1-21(2)29-31-37-30(22-8-6-5-7-9-22)38-40(31)16-17-46-26-18-23(10-12-25(26)44-3)32(42)34-14-15-39(20-27(41)36-29)33(43)24-11-13-28(45-4)35-19-24/h5-13,18-19,21,29H,14-17,20H2,1-4H3,(H,34,42)(H,36,41)/t29-/m1/s1.

What are the key properties of (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

(10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione has a molecular weight of 627.70 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-22-methoxy-14-(6-methoxypyridine-3-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione is sourced from PubChem (CID 155914211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).