(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine

C19H17ClFN7O — CID 139344691

IUPAC(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine
SMILESC[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](c2cn[nH]c2F)O1
InChIInChI=1S/C19H17ClFN7O/c1-11-8-27(10-15(29-11)13-6-24-26-18(13)21)17-4-5-22-19(25-17)14-7-23-16-3-2-12(20)9-28(14)16/h2-7,9,11,15H,8,10H2,1H3,(H,24,26)/t11-,15-/m0/s1
InChIKeyMYQGZVFQAMFONI-NHYWBVRUSA-N
MW413.84 g/mol
LogP3.27
Rot. Bonds3

About (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine

(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine (PubChem CID 139344691) has the molecular formula C19H17ClFN7O and a molecular weight of 413.84 g/mol. Its IUPAC name is (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine
PubChem CID139344691
Molecular FormulaC19H17ClFN7O
Molecular Weight413.84 g/mol
Exact Mass413.12
IUPAC Name(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine
SMILESC[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](c2cn[nH]c2F)O1
InChIInChI=1S/C19H17ClFN7O/c1-11-8-27(10-15(29-11)13-6-24-26-18(13)21)17-4-5-22-19(25-17)14-7-23-16-3-2-12(20)9-28(14)16/h2-7,9,11,15H,8,10H2,1H3,(H,24,26)/t11-,15-/m0/s1
InChIKeyMYQGZVFQAMFONI-NHYWBVRUSA-N
XLogP3.27
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine?
The IUPAC name of (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine (CID 139344691) is (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine.
What is the SMILES notation for (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine?
The canonical SMILES for (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine is C[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](c2cn[nH]c2F)O1.
What is the InChIKey of (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine?
The InChIKey is MYQGZVFQAMFONI-NHYWBVRUSA-N. The full InChI is InChI=1S/C19H17ClFN7O/c1-11-8-27(10-15(29-11)13-6-24-26-18(13)21)17-4-5-22-19(25-17)14-7-23-16-3-2-12(20)9-28(14)16/h2-7,9,11,15H,8,10H2,1H3,(H,24,26)/t11-,15-/m0/s1.
What are the key properties of (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine?
(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine has a molecular weight of 413.84 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine is sourced from PubChem (CID 139344691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).