4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine

C34H40N8O2 — CID 118356339

IUPAC4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCCOc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6ccc(N7CCOCC7)nc6)cc45)CC3)[nH]c2C)cc1C
InChIInChI=1S/C34H40N8O2/c1-5-44-28-8-6-24(18-22(28)2)30-23(3)38-33(40-30)34(4)10-12-42(13-11-34)32-26-19-27(39-31(26)36-21-37-32)25-7-9-29(35-20-25)41-14-16-43-17-15-41/h6-9,18-21H,5,10-17H2,1-4H3,(H,38,40)(H,36,37,39)
InChIKeyCIPMAMLXMIINBE-UHFFFAOYSA-N
MW592.75 g/mol
LogP5.82
Rot. Bonds7

About 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine

4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118356339) has the molecular formula C34H40N8O2 and a molecular weight of 592.75 g/mol. Its IUPAC name is 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
PubChem CID118356339
Molecular FormulaC34H40N8O2
Molecular Weight592.75 g/mol
Exact Mass592.33
IUPAC Name4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCCOc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6ccc(N7CCOCC7)nc6)cc45)CC3)[nH]c2C)cc1C
InChIInChI=1S/C34H40N8O2/c1-5-44-28-8-6-24(18-22(28)2)30-23(3)38-33(40-30)34(4)10-12-42(13-11-34)32-26-19-27(39-31(26)36-21-37-32)25-7-9-29(35-20-25)41-14-16-43-17-15-41/h6-9,18-21H,5,10-17H2,1-4H3,(H,38,40)(H,36,37,39)
InChIKeyCIPMAMLXMIINBE-UHFFFAOYSA-N
XLogP5.82
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118356339) is 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is CCOc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6ccc(N7CCOCC7)nc6)cc45)CC3)[nH]c2C)cc1C.
What is the InChIKey of 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The InChIKey is CIPMAMLXMIINBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O2/c1-5-44-28-8-6-24(18-22(28)2)30-23(3)38-33(40-30)34(4)10-12-42(13-11-34)32-26-19-27(39-31(26)36-21-37-32)25-7-9-29(35-20-25)41-14-16-43-17-15-41/h6-9,18-21H,5,10-17H2,1-4H3,(H,38,40)(H,36,37,39).
What are the key properties of 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine has a molecular weight of 592.75 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118356339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).