(10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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 155505405

About (10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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-(2-methyl-6-oxo-1H-pyridine-4-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 155505405) has the molecular formula C33H37N7O6 and a molecular weight of 627.70 g/mol. Its IUPAC name is (10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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-(2-methyl-6-oxo-1H-pyridine-4-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: 155505405
• Molecular Formula: C33H37N7O6
• Molecular Weight: 627.70 g/mol
• Exact Mass: 627.28
• IUPAC Name: (10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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: COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cc(C)[nH]c(=O)c1)CCNC2=O
• InChI: InChI=1S/C33H37N7O6/c1-20(2)29-31-37-30(22-8-6-5-7-9-22)38-40(31)14-15-46-26-17-23(10-11-25(26)45-4)32(43)34-12-13-39(19-28(42)36-29)33(44)24-16-21(3)35-27(41)18-24/h5-11,16-18,20,29H,12-15,19H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t29-/m1/s1
• InChIKey: KRIOMMGXZXVCJP-GDLZYMKVSA-N
• XLogP: 2.73
• TPSA: 160.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.70
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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-(2-methyl-6-oxo-1H-pyridine-4-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 155505405) is (10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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-(2-methyl-6-oxo-1H-pyridine-4-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-(2-methyl-6-oxo-1H-pyridine-4-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 COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cc(C)[nH]c(=O)c1)CCNC2=O.

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

What are the key properties of (10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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-(2-methyl-6-oxo-1H-pyridine-4-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 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-22-methoxy-14-(2-methyl-6-oxo-1H-pyridine-4-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 155505405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).