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

C18H17BrN8O — CID 153418475

IUPAC(2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
SMILESC[C@H]1[C@@H](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)/t11-,17-/m0/s1
InChIKeyAZPUKLQQRHYQIG-GTNSWQLSSA-N
MW441.29 g/mol
LogP2.64
Rot. Bonds3

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

(2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine (PubChem CID 153418475) has the molecular formula C18H17BrN8O and a molecular weight of 441.29 g/mol. Its IUPAC name is (2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
PubChem CID153418475
Molecular FormulaC18H17BrN8O
Molecular Weight441.29 g/mol
Exact Mass440.07
IUPAC Name(2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
SMILESC[C@H]1[C@@H](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)/t11-,17-/m0/s1
InChIKeyAZPUKLQQRHYQIG-GTNSWQLSSA-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 (2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-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 (2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine (CID 153418475) is (2R,3S)-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 (2R,3S)-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 (2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine is C[C@H]1[C@@H](c2cn[nH]c2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.
What is the InChIKey of (2R,3S)-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-GTNSWQLSSA-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)/t11-,17-/m0/s1.
What are the key properties of (2R,3S)-4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine?
(2R,3S)-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 (2R,3S)-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 153418475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).