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

C32H34F2N8O2 — CID 118413933

IUPAC4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc34)CC2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C32H34F2N8O2/c1-20-27(21-3-6-23(7-4-21)44-31(33)34)40-30(38-20)32(2)9-11-42(12-10-32)29-24-17-25(39-28(24)36-19-37-29)22-5-8-26(35-18-22)41-13-15-43-16-14-41/h3-8,17-19,31H,9-16H2,1-2H3,(H,38,40)(H,36,37,39)
InChIKeyCCIUCEVYYYBLIQ-UHFFFAOYSA-N
MW600.67 g/mol
LogP5.71
Rot. Bonds7

About 4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118413933) has the molecular formula C32H34F2N8O2 and a molecular weight of 600.67 g/mol. Its IUPAC name is 4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
PubChem CID118413933
Molecular FormulaC32H34F2N8O2
Molecular Weight600.67 g/mol
Exact Mass600.28
IUPAC Name4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc34)CC2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C32H34F2N8O2/c1-20-27(21-3-6-23(7-4-21)44-31(33)34)40-30(38-20)32(2)9-11-42(12-10-32)29-24-17-25(39-28(24)36-19-37-29)22-5-8-26(35-18-22)41-13-15-43-16-14-41/h3-8,17-19,31H,9-16H2,1-2H3,(H,38,40)(H,36,37,39)
InChIKeyCCIUCEVYYYBLIQ-UHFFFAOYSA-N
XLogP5.71
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.67
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118413933) is 4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc34)CC2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The InChIKey is CCIUCEVYYYBLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N8O2/c1-20-27(21-3-6-23(7-4-21)44-31(33)34)40-30(38-20)32(2)9-11-42(12-10-32)29-24-17-25(39-28(24)36-19-37-29)22-5-8-26(35-18-22)41-13-15-43-16-14-41/h3-8,17-19,31H,9-16H2,1-2H3,(H,38,40)(H,36,37,39).
What are the key properties of 4-[5-[4-[4-[4-[4-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-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 600.67 g/mol, XLogP of 5.71, 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-(difluoromethoxy)phenyl]-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 118413933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).