(10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione

C29H34N8O6 — CID 163317168

About (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione

(10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione (PubChem CID 163317168) has the molecular formula C29H34N8O6 and a molecular weight of 590.64 g/mol. Its IUPAC name is (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione.

Molecular Properties

• Compound Name: (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione
• PubChem CID: 163317168
• Molecular Formula: C29H34N8O6
• Molecular Weight: 590.64 g/mol
• Exact Mass: 590.26
• IUPAC Name: (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione
• SMILES: COc1cc2ccc1OCCn1nc(C)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1onc3ncccc13)CCCNC2=O
• InChI: InChI=1S/C29H34N8O6/c1-17(2)24-27-32-18(3)34-37(27)13-14-42-21-9-8-19(15-22(21)41-4)28(39)31-11-6-12-36(16-23(38)33-24)29(40)25-20-7-5-10-30-26(20)35-43-25/h5,7-10,15,17,24H,6,11-14,16H2,1-4H3,(H,31,39)(H,33,38)/t24-/m1/s1
• InChIKey: DVNFABLJNBVUHQ-XMMPIXPASA-N
• XLogP: 2.30
• TPSA: 166.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.64
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione?

The IUPAC name of (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione (CID 163317168) is (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione.

What is the SMILES notation for (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione?

The canonical SMILES for (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione is COc1cc2ccc1OCCn1nc(C)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1onc3ncccc13)CCCNC2=O.

What is the InChIKey of (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione?

The InChIKey is DVNFABLJNBVUHQ-XMMPIXPASA-N. The full InChI is InChI=1S/C29H34N8O6/c1-17(2)24-27-32-18(3)34-37(27)13-14-42-21-9-8-19(15-22(21)41-4)28(39)31-11-6-12-36(16-23(38)33-24)29(40)25-20-7-5-10-30-26(20)35-43-25/h5,7-10,15,17,24H,6,11-14,16H2,1-4H3,(H,31,39)(H,33,38)/t24-/m1/s1.

What are the key properties of (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione?

(10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione has a molecular weight of 590.64 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-22-methoxy-7-methyl-14-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.2.2.05,9]tetracosa-1(22),6,8,20,23-pentaene-12,19-dione is sourced from PubChem (CID 163317168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).