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

C31H30N6O — CID 71138205

IUPAC1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(-c4ccccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C31H30N6O/c32-31(14-4-15-31)23-8-10-24(11-9-23)37-29(27-7-1-2-16-33-27)35-28-13-12-26(34-30(28)37)22-5-3-6-25(21-22)36-17-19-38-20-18-36/h1-3,5-13,16,21H,4,14-15,17-20,32H2
InChIKeyLIWLKTOEQJPAAM-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.32
Rot. Bonds5

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

1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (PubChem CID 71138205) has the molecular formula C31H30N6O and a molecular weight of 502.62 g/mol. Its IUPAC name is 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
PubChem CID71138205
Molecular FormulaC31H30N6O
Molecular Weight502.62 g/mol
Exact Mass502.25
IUPAC Name1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(-c4ccccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C31H30N6O/c32-31(14-4-15-31)23-8-10-24(11-9-23)37-29(27-7-1-2-16-33-27)35-28-13-12-26(34-30(28)37)22-5-3-6-25(21-22)36-17-19-38-20-18-36/h1-3,5-13,16,21H,4,14-15,17-20,32H2
InChIKeyLIWLKTOEQJPAAM-UHFFFAOYSA-N
XLogP5.32
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (CID 71138205) is 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-n3c(-c4ccccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1.
What is the InChIKey of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The InChIKey is LIWLKTOEQJPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O/c32-31(14-4-15-31)23-8-10-24(11-9-23)37-29(27-7-1-2-16-33-27)35-28-13-12-26(34-30(28)37)22-5-3-6-25(21-22)36-17-19-38-20-18-36/h1-3,5-13,16,21H,4,14-15,17-20,32H2.
What are the key properties of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine has a molecular weight of 502.62 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 71138205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).