(3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione

C30H30N6O6 — CID 164700153

About (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione

(3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione (PubChem CID 164700153) has the molecular formula C30H30N6O6 and a molecular weight of 570.61 g/mol. Its IUPAC name is (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione.

Molecular Properties

• Compound Name: (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione
• PubChem CID: 164700153
• Molecular Formula: C30H30N6O6
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.22
• IUPAC Name: (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione
• SMILES: COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3ccc4cn[nH]c4n3)CC[C@H]1O2
• InChI: InChI=1S/C30H30N6O6/c1-17-3-4-18-11-25(17)41-16-27(37)31-13-19-5-7-21(12-26(19)40-2)42-24-9-10-36(15-23(24)34-29(18)38)30(39)22-8-6-20-14-32-35-28(20)33-22/h3-8,11-12,14,23-24H,9-10,13,15-16H2,1-2H3,(H,31,37)(H,34,38)(H,32,33,35)/t23-,24+/m0/s1
• InChIKey: WUUJLOVUAWFSSR-BJKOFHAPSA-N
• XLogP: 2.38
• TPSA: 147.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The IUPAC name of (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione (CID 164700153) is (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione.

What is the SMILES notation for (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The canonical SMILES for (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione is COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3ccc4cn[nH]c4n3)CC[C@H]1O2.

What is the InChIKey of (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The InChIKey is WUUJLOVUAWFSSR-BJKOFHAPSA-N. The full InChI is InChI=1S/C30H30N6O6/c1-17-3-4-18-11-25(17)41-16-27(37)31-13-19-5-7-21(12-26(19)40-2)42-24-9-10-36(15-23(24)34-29(18)38)30(39)22-8-6-20-14-32-35-28(20)33-22/h3-8,11-12,14,23-24H,9-10,13,15-16H2,1-2H3,(H,31,37)(H,34,38)(H,32,33,35)/t23-,24+/m0/s1.

What are the key properties of (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

(3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione has a molecular weight of 570.61 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,8S)-22-methoxy-14-methyl-6-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione is sourced from PubChem (CID 164700153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).