3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine

C64H58F2N10O2 — CID 123905247

IUPAC3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(-c4ccc(F)cc4C4CC(N)(c5ccc(-n6c(-c7cccc(F)c7)nc7ccc(-c8cccc(N9CCOCC9)c8)nc76)cc5)C4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C64H58F2N10O2/c65-47-8-1-7-43(35-47)59-71-57-23-21-55(41-5-2-9-51(36-41)73-27-31-77-32-28-73)69-61(57)75(59)49-18-13-46(14-19-49)64(68)39-44(40-64)54-38-48(66)15-20-53(54)60-72-58-24-22-56(42-6-3-10-52(37-42)74-29-33-78-34-30-74)70-62(58)76(60)50-16-11-45(12-17-50)63(67)25-4-26-63/h1-3,5-24,35-38,44H,4,25-34,39-40,67-68H2
InChIKeyDISBLMYNAWSPMG-UHFFFAOYSA-N
MW1037.23 g/mol
LogP11.84
Rot. Bonds11

About 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine

3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (PubChem CID 123905247) has the molecular formula C64H58F2N10O2 and a molecular weight of 1037.23 g/mol. Its IUPAC name is 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
PubChem CID123905247
Molecular FormulaC64H58F2N10O2
Molecular Weight1037.23 g/mol
Exact Mass1036.47
IUPAC Name3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(-c4ccc(F)cc4C4CC(N)(c5ccc(-n6c(-c7cccc(F)c7)nc7ccc(-c8cccc(N9CCOCC9)c8)nc76)cc5)C4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C64H58F2N10O2/c65-47-8-1-7-43(35-47)59-71-57-23-21-55(41-5-2-9-51(36-41)73-27-31-77-32-28-73)69-61(57)75(59)49-18-13-46(14-19-49)64(68)39-44(40-64)54-38-48(66)15-20-53(54)60-72-58-24-22-56(42-6-3-10-52(37-42)74-29-33-78-34-30-74)70-62(58)76(60)50-16-11-45(12-17-50)63(67)25-4-26-63/h1-3,5-24,35-38,44H,4,25-34,39-40,67-68H2
InChIKeyDISBLMYNAWSPMG-UHFFFAOYSA-N
XLogP11.84
TPSA138.40 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.23
LogP ≤ 511.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (CID 123905247) is 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-n3c(-c4ccc(F)cc4C4CC(N)(c5ccc(-n6c(-c7cccc(F)c7)nc7ccc(-c8cccc(N9CCOCC9)c8)nc76)cc5)C4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1.
What is the InChIKey of 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The InChIKey is DISBLMYNAWSPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58F2N10O2/c65-47-8-1-7-43(35-47)59-71-57-23-21-55(41-5-2-9-51(36-41)73-27-31-77-32-28-73)69-61(57)75(59)49-18-13-46(14-19-49)64(68)39-44(40-64)54-38-48(66)15-20-53(54)60-72-58-24-22-56(42-6-3-10-52(37-42)74-29-33-78-34-30-74)70-62(58)76(60)50-16-11-45(12-17-50)63(67)25-4-26-63/h1-3,5-24,35-38,44H,4,25-34,39-40,67-68H2.
What are the key properties of 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine has a molecular weight of 1037.23 g/mol, XLogP of 11.84, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-5-fluorophenyl]-1-[4-[2-(3-fluorophenyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 123905247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).