(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine

C19H17ClFN7O — CID 139344288

IUPAC(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
SMILESC[C@@H]1CN(c2nccc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1
InChIInChI=1S/C19H17ClFN7O/c1-11-8-27(10-17(29-11)12-5-24-25-6-12)19-22-3-2-15(26-19)16-7-23-18-4-14(21)13(20)9-28(16)18/h2-7,9,11,17H,8,10H2,1H3,(H,24,25)/t11-,17-/m1/s1
InChIKeyQQVZCZSIVIVAMX-PIGZYNQJSA-N
MW413.84 g/mol
LogP3.27
Rot. Bonds3

About (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine

(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine (PubChem CID 139344288) has the molecular formula C19H17ClFN7O and a molecular weight of 413.84 g/mol. Its IUPAC name is (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
PubChem CID139344288
Molecular FormulaC19H17ClFN7O
Molecular Weight413.84 g/mol
Exact Mass413.12
IUPAC Name(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
SMILESC[C@@H]1CN(c2nccc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1
InChIInChI=1S/C19H17ClFN7O/c1-11-8-27(10-17(29-11)12-5-24-25-6-12)19-22-3-2-15(26-19)16-7-23-18-4-14(21)13(20)9-28(16)18/h2-7,9,11,17H,8,10H2,1H3,(H,24,25)/t11-,17-/m1/s1
InChIKeyQQVZCZSIVIVAMX-PIGZYNQJSA-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

Analyze (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine?
The IUPAC name of (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine (CID 139344288) is (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine?
The canonical SMILES for (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine is C[C@@H]1CN(c2nccc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.
What is the InChIKey of (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine?
The InChIKey is QQVZCZSIVIVAMX-PIGZYNQJSA-N. The full InChI is InChI=1S/C19H17ClFN7O/c1-11-8-27(10-17(29-11)12-5-24-25-6-12)19-22-3-2-15(26-19)16-7-23-18-4-14(21)13(20)9-28(16)18/h2-7,9,11,17H,8,10H2,1H3,(H,24,25)/t11-,17-/m1/s1.
What are the key properties of (2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine?
(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine 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-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139344288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).