(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine

C20H19ClFN7O — CID 139344481

IUPAC(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
SMILESCc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@@H](C)O1
InChIInChI=1S/C20H19ClFN7O/c1-11-8-28(10-17(30-11)13-6-25-27-12(13)2)18-3-4-23-20(26-18)16-7-24-19-5-15(22)14(21)9-29(16)19/h3-7,9,11,17H,8,10H2,1-2H3,(H,25,27)/t11-,17+/m1/s1
InChIKeyMUCXWWNMKVYEKV-DIFFPNOSSA-N
MW427.87 g/mol
LogP3.58
Rot. Bonds3

About (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine

(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine (PubChem CID 139344481) has the molecular formula C20H19ClFN7O and a molecular weight of 427.87 g/mol. Its IUPAC name is (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
PubChem CID139344481
Molecular FormulaC20H19ClFN7O
Molecular Weight427.87 g/mol
Exact Mass427.13
IUPAC Name(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
SMILESCc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@@H](C)O1
InChIInChI=1S/C20H19ClFN7O/c1-11-8-28(10-17(30-11)13-6-25-27-12(13)2)18-3-4-23-20(26-18)16-7-24-19-5-15(22)14(21)9-29(16)19/h3-7,9,11,17H,8,10H2,1-2H3,(H,25,27)/t11-,17+/m1/s1
InChIKeyMUCXWWNMKVYEKV-DIFFPNOSSA-N
XLogP3.58
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The IUPAC name of (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine (CID 139344481) is (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The canonical SMILES for (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine is Cc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The InChIKey is MUCXWWNMKVYEKV-DIFFPNOSSA-N. The full InChI is InChI=1S/C20H19ClFN7O/c1-11-8-28(10-17(30-11)13-6-25-27-12(13)2)18-3-4-23-20(26-18)16-7-24-19-5-15(22)14(21)9-29(16)19/h3-7,9,11,17H,8,10H2,1-2H3,(H,25,27)/t11-,17+/m1/s1.
What are the key properties of (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine has a molecular weight of 427.87 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139344481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).