1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea

C71H61N11O7 — CID 143887502

About 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea

1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea (PubChem CID 143887502) has the molecular formula C71H61N11O7 and a molecular weight of 1180.34 g/mol. Its IUPAC name is 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea
• PubChem CID: 143887502
• Molecular Formula: C71H61N11O7
• Molecular Weight: 1180.34 g/mol
• Exact Mass: 1179.48
• IUPAC Name: 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea
• SMILES: O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCC5CN(c6ccc(NC(=O)Nc7ccc(CCNc8ncnc9oc(-c%10ccccc%10)c(-c%10ccccc%10)c89)cc7)cc6)CCO5)cc4)c(-c4ccc(O)cc4)c23)cc1
• InChI: InChI=1S/C71H61N11O7/c83-57-32-20-49(21-33-57)61-63-67(73-39-37-46-16-24-53(25-17-46)79-70(84)78-52-14-8-3-9-15-52)75-45-77-69(63)89-65(61)51-22-34-58(35-23-51)87-43-59-42-82(40-41-86-59)56-30-28-55(29-31-56)81-71(85)80-54-26-18-47(19-27-54)36-38-72-66-62-60(48-10-4-1-5-11-48)64(50-12-6-2-7-13-50)88-68(62)76-44-74-66/h1-35,44-45,59,83H,36-43H2,(H,72,74,76)(H,73,75,77)(H2,78,79,84)(H2,80,81,85)
• InChIKey: LZLDEWBSFDFPAH-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 226.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1180.34
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea?

The IUPAC name of 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea (CID 143887502) is 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea.

What is the SMILES notation for 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea?

The canonical SMILES for 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCC5CN(c6ccc(NC(=O)Nc7ccc(CCNc8ncnc9oc(-c%10ccccc%10)c(-c%10ccccc%10)c89)cc7)cc6)CCO5)cc4)c(-c4ccc(O)cc4)c23)cc1.

What is the InChIKey of 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea?

The InChIKey is LZLDEWBSFDFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H61N11O7/c83-57-32-20-49(21-33-57)61-63-67(73-39-37-46-16-24-53(25-17-46)79-70(84)78-52-14-8-3-9-15-52)75-45-77-69(63)89-65(61)51-22-34-58(35-23-51)87-43-59-42-82(40-41-86-59)56-30-28-55(29-31-56)81-71(85)80-54-26-18-47(19-27-54)36-38-72-66-62-60(48-10-4-1-5-11-48)64(50-12-6-2-7-13-50)88-68(62)76-44-74-66/h1-35,44-45,59,83H,36-43H2,(H,72,74,76)(H,73,75,77)(H2,78,79,84)(H2,80,81,85).

What are the key properties of 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea?

1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea has a molecular weight of 1180.34 g/mol, XLogP of 15.01, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea is sourced from PubChem (CID 143887502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).