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

C30H32N8O — CID 118414232

IUPAC4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5ccnc(N6CCOCC6)c5)cc34)CC2)nc1-c1ccccc1
InChIInChI=1S/C30H32N8O/c1-20-27(21-5-3-2-4-6-21)36-28(34-20)22-8-11-38(12-9-22)30-24-18-25(35-29(24)32-19-33-30)23-7-10-31-26(17-23)37-13-15-39-16-14-37/h2-7,10,17-19,22H,8-9,11-16H2,1H3,(H,34,36)(H,32,33,35)
InChIKeyDDRWDVLJCMGCIO-UHFFFAOYSA-N
MW520.64 g/mol
LogP4.94
Rot. Bonds5

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

4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118414232) has the molecular formula C30H32N8O and a molecular weight of 520.64 g/mol. Its IUPAC name is 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
PubChem CID118414232
Molecular FormulaC30H32N8O
Molecular Weight520.64 g/mol
Exact Mass520.27
IUPAC Name4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5ccnc(N6CCOCC6)c5)cc34)CC2)nc1-c1ccccc1
InChIInChI=1S/C30H32N8O/c1-20-27(21-5-3-2-4-6-21)36-28(34-20)22-8-11-38(12-9-22)30-24-18-25(35-29(24)32-19-33-30)23-7-10-31-26(17-23)37-13-15-39-16-14-37/h2-7,10,17-19,22H,8-9,11-16H2,1H3,(H,34,36)(H,32,33,35)
InChIKeyDDRWDVLJCMGCIO-UHFFFAOYSA-N
XLogP4.94
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-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-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118414232) is 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5ccnc(N6CCOCC6)c5)cc34)CC2)nc1-c1ccccc1.
What is the InChIKey of 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The InChIKey is DDRWDVLJCMGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O/c1-20-27(21-5-3-2-4-6-21)36-28(34-20)22-8-11-38(12-9-22)30-24-18-25(35-29(24)32-19-33-30)23-7-10-31-26(17-23)37-13-15-39-16-14-37/h2-7,10,17-19,22H,8-9,11-16H2,1H3,(H,34,36)(H,32,33,35).
What are the key properties of 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine has a molecular weight of 520.64 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118414232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).