(10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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

C32H34ClN7O5 — CID 155910354

About (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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 155910354) has the molecular formula C32H34ClN7O5 and a molecular weight of 632.12 g/mol. Its IUPAC name is (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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: 155910354
• Molecular Formula: C32H34ClN7O5
• Molecular Weight: 632.12 g/mol
• Exact Mass: 631.23
• IUPAC Name: (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)c1ccncc1Cl)CCNC2=O
• InChI: InChI=1S/C32H34ClN7O5/c1-20(2)28-30-37-29(21-7-5-4-6-8-21)38-40(30)15-16-45-26-17-22(9-10-25(26)44-3)31(42)35-13-14-39(19-27(41)36-28)32(43)23-11-12-34-18-24(23)33/h4-12,17-18,20,28H,13-16,19H2,1-3H3,(H,35,42)(H,36,41)/t28-/m1/s1
• InChIKey: RNCAQNDTHKZGGO-MUUNZHRXSA-N
• XLogP: 3.78
• TPSA: 140.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.12
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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 155910354) is (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)c1ccncc1Cl)CCNC2=O.

What is the InChIKey of (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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 RNCAQNDTHKZGGO-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H34ClN7O5/c1-20(2)28-30-37-29(21-7-5-4-6-8-21)38-40(30)15-16-45-26-17-22(9-10-25(26)44-3)31(42)35-13-14-39(19-27(41)36-28)32(43)23-11-12-34-18-24(23)33/h4-12,17-18,20,28H,13-16,19H2,1-3H3,(H,35,42)(H,36,41)/t28-/m1/s1.

What are the key properties of (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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 632.12 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-14-(3-chloropyridine-4-carbonyl)-22-methoxy-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 155910354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).