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

C32H37N5O — CID 71138295

IUPAC1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(C4CCCCC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C32H37N5O/c33-32(16-5-17-32)25-10-12-26(13-11-25)37-30(23-6-2-1-3-7-23)35-29-15-14-28(34-31(29)37)24-8-4-9-27(22-24)36-18-20-38-21-19-36/h4,8-15,22-23H,1-3,5-7,16-21,33H2
InChIKeyJPLVXMRQCGJXDF-UHFFFAOYSA-N
MW507.68 g/mol
LogP6.31
Rot. Bonds5

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

1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (PubChem CID 71138295) has the molecular formula C32H37N5O and a molecular weight of 507.68 g/mol. Its IUPAC name is 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
PubChem CID71138295
Molecular FormulaC32H37N5O
Molecular Weight507.68 g/mol
Exact Mass507.30
IUPAC Name1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(C4CCCCC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C32H37N5O/c33-32(16-5-17-32)25-10-12-26(13-11-25)37-30(23-6-2-1-3-7-23)35-29-15-14-28(34-31(29)37)24-8-4-9-27(22-24)36-18-20-38-21-19-36/h4,8-15,22-23H,1-3,5-7,16-21,33H2
InChIKeyJPLVXMRQCGJXDF-UHFFFAOYSA-N
XLogP6.31
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (CID 71138295) is 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-n3c(C4CCCCC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1.
What is the InChIKey of 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The InChIKey is JPLVXMRQCGJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O/c33-32(16-5-17-32)25-10-12-26(13-11-25)37-30(23-6-2-1-3-7-23)35-29-15-14-28(34-31(29)37)24-8-4-9-27(22-24)36-18-20-38-21-19-36/h4,8-15,22-23H,1-3,5-7,16-21,33H2.
What are the key properties of 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine has a molecular weight of 507.68 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-cyclohexyl-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 71138295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).