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

C33H38N8O2 — CID 118413895

IUPAC4-[5-[4-[4-[4-(4-ethoxyphenyl)-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)cc1
InChIInChI=1S/C33H38N8O2/c1-4-43-25-8-5-23(6-9-25)29-22(2)37-32(39-29)33(3)11-13-41(14-12-33)31-26-19-27(38-30(26)35-21-36-31)24-7-10-28(34-20-24)40-15-17-42-18-16-40/h5-10,19-21H,4,11-18H2,1-3H3,(H,37,39)(H,35,36,38)
InChIKeyHWFHXWQROAIZQA-UHFFFAOYSA-N
MW578.72 g/mol
LogP5.51
Rot. Bonds7

About 4-[5-[4-[4-[4-(4-ethoxyphenyl)-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-ethoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118413895) has the molecular formula C33H38N8O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 4-[5-[4-[4-[4-(4-ethoxyphenyl)-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-ethoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
PubChem CID118413895
Molecular FormulaC33H38N8O2
Molecular Weight578.72 g/mol
Exact Mass578.31
IUPAC Name4-[5-[4-[4-[4-(4-ethoxyphenyl)-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)cc1
InChIInChI=1S/C33H38N8O2/c1-4-43-25-8-5-23(6-9-25)29-22(2)37-32(39-29)33(3)11-13-41(14-12-33)31-26-19-27(38-30(26)35-21-36-31)24-7-10-28(34-20-24)40-15-17-42-18-16-40/h5-10,19-21H,4,11-18H2,1-3H3,(H,37,39)(H,35,36,38)
InChIKeyHWFHXWQROAIZQA-UHFFFAOYSA-N
XLogP5.51
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-[4-[4-[4-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118413895) is 4-[5-[4-[4-[4-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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)cc1.
What is the InChIKey of 4-[5-[4-[4-[4-(4-ethoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The InChIKey is HWFHXWQROAIZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O2/c1-4-43-25-8-5-23(6-9-25)29-22(2)37-32(39-29)33(3)11-13-41(14-12-33)31-26-19-27(38-30(26)35-21-36-31)24-7-10-28(34-20-24)40-15-17-42-18-16-40/h5-10,19-21H,4,11-18H2,1-3H3,(H,37,39)(H,35,36,38).
What are the key properties of 4-[5-[4-[4-[4-(4-ethoxyphenyl)-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-ethoxyphenyl)-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 578.72 g/mol, XLogP of 5.51, 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-ethoxyphenyl)-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 118413895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).