(10R)-14-(imidazo[1,2-a]pyrimidine-2-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

C33H35N9O5 — CID 155911709

About (10R)-14-(imidazo[1,2-a]pyrimidine-2-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-(imidazo[1,2-a]pyrimidine-2-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 155911709) has the molecular formula C33H35N9O5 and a molecular weight of 637.70 g/mol. Its IUPAC name is (10R)-14-(imidazo[1,2-a]pyrimidine-2-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-(imidazo[1,2-a]pyrimidine-2-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: 155911709
• Molecular Formula: C33H35N9O5
• Molecular Weight: 637.70 g/mol
• Exact Mass: 637.28
• IUPAC Name: (10R)-14-(imidazo[1,2-a]pyrimidine-2-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)c1cn3cccnc3n1)CCNC2=O
• InChI: InChI=1S/C33H35N9O5/c1-21(2)28-30-38-29(22-8-5-4-6-9-22)39-42(30)16-17-47-26-18-23(10-11-25(26)46-3)31(44)34-13-15-40(20-27(43)37-28)32(45)24-19-41-14-7-12-35-33(41)36-24/h4-12,14,18-19,21,28H,13,15-17,20H2,1-3H3,(H,34,44)(H,37,43)/t28-/m1/s1
• InChIKey: XLOYXOYRQFPECB-MUUNZHRXSA-N
• XLogP: 2.77
• TPSA: 157.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.70
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (10R)-14-(imidazo[1,2-a]pyrimidine-2-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-(imidazo[1,2-a]pyrimidine-2-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 155911709) is (10R)-14-(imidazo[1,2-a]pyrimidine-2-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-(imidazo[1,2-a]pyrimidine-2-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-(imidazo[1,2-a]pyrimidine-2-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)c1cn3cccnc3n1)CCNC2=O.

What is the InChIKey of (10R)-14-(imidazo[1,2-a]pyrimidine-2-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 XLOYXOYRQFPECB-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H35N9O5/c1-21(2)28-30-38-29(22-8-5-4-6-9-22)39-42(30)16-17-47-26-18-23(10-11-25(26)46-3)31(44)34-13-15-40(20-27(43)37-28)32(45)24-19-41-14-7-12-35-33(41)36-24/h4-12,14,18-19,21,28H,13,15-17,20H2,1-3H3,(H,34,44)(H,37,43)/t28-/m1/s1.

What are the key properties of (10R)-14-(imidazo[1,2-a]pyrimidine-2-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-(imidazo[1,2-a]pyrimidine-2-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 637.70 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-14-(imidazo[1,2-a]pyrimidine-2-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 155911709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).