4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine

C18H17BrN8O — CID 139359017

IUPAC4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
SMILESCC1C(c2cn[nH]c2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1
InChIInChI=1S/C18H17BrN8O/c1-11-17(12-6-23-24-7-12)28-5-4-26(11)15-2-3-20-18(25-15)13-8-22-16-9-21-14(19)10-27(13)16/h2-3,6-11,17H,4-5H2,1H3,(H,23,24)
InChIKeyAZPUKLQQRHYQIG-UHFFFAOYSA-N
MW441.29 g/mol
LogP2.64
Rot. Bonds3

About 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine

4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine (PubChem CID 139359017) has the molecular formula C18H17BrN8O and a molecular weight of 441.29 g/mol. Its IUPAC name is 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
PubChem CID139359017
Molecular FormulaC18H17BrN8O
Molecular Weight441.29 g/mol
Exact Mass440.07
IUPAC Name4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
SMILESCC1C(c2cn[nH]c2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1
InChIInChI=1S/C18H17BrN8O/c1-11-17(12-6-23-24-7-12)28-5-4-26(11)15-2-3-20-18(25-15)13-8-22-16-9-21-14(19)10-27(13)16/h2-3,6-11,17H,4-5H2,1H3,(H,23,24)
InChIKeyAZPUKLQQRHYQIG-UHFFFAOYSA-N
XLogP2.64
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine?
The IUPAC name of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine (CID 139359017) is 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine is CC1C(c2cn[nH]c2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.
What is the InChIKey of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine?
The InChIKey is AZPUKLQQRHYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN8O/c1-11-17(12-6-23-24-7-12)28-5-4-26(11)15-2-3-20-18(25-15)13-8-22-16-9-21-14(19)10-27(13)16/h2-3,6-11,17H,4-5H2,1H3,(H,23,24).
What are the key properties of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine?
4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine has a molecular weight of 441.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139359017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).