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

C30H29N7O — CID 71138305

IUPAC1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(-c4ncccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C30H29N7O/c31-30(12-2-13-30)22-6-8-23(9-7-22)37-28-26(35-29(37)27-32-14-3-15-33-27)11-10-25(34-28)21-4-1-5-24(20-21)36-16-18-38-19-17-36/h1,3-11,14-15,20H,2,12-13,16-19,31H2
InChIKeyFFHWLTVMVGOGQG-UHFFFAOYSA-N
MW503.61 g/mol
LogP4.72
Rot. Bonds5

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

1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (PubChem CID 71138305) has the molecular formula C30H29N7O and a molecular weight of 503.61 g/mol. Its IUPAC name is 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
PubChem CID71138305
Molecular FormulaC30H29N7O
Molecular Weight503.61 g/mol
Exact Mass503.24
IUPAC Name1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-n3c(-c4ncccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
InChIInChI=1S/C30H29N7O/c31-30(12-2-13-30)22-6-8-23(9-7-22)37-28-26(35-29(37)27-32-14-3-15-33-27)11-10-25(34-28)21-4-1-5-24(20-21)36-16-18-38-19-17-36/h1,3-11,14-15,20H,2,12-13,16-19,31H2
InChIKeyFFHWLTVMVGOGQG-UHFFFAOYSA-N
XLogP4.72
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine (CID 71138305) is 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-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-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-n3c(-c4ncccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1.
What is the InChIKey of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
The InChIKey is FFHWLTVMVGOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O/c31-30(12-2-13-30)22-6-8-23(9-7-22)37-28-26(35-29(37)27-32-14-3-15-33-27)11-10-25(34-28)21-4-1-5-24(20-21)36-16-18-38-19-17-36/h1,3-11,14-15,20H,2,12-13,16-19,31H2.
What are the key properties of 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine?
1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine has a molecular weight of 503.61 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-morpholin-4-ylphenyl)-2-pyrimidin-2-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 71138305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).