4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine

C20H16ClFN6O — CID 139344304

IUPAC4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine
SMILESFc1cc2ncc(-c3nccc(N4CCOC(c5ccccn5)C4)n3)n2cc1Cl
InChIInChI=1S/C20H16ClFN6O/c21-13-11-28-16(10-25-19(28)9-14(13)22)20-24-6-4-18(26-20)27-7-8-29-17(12-27)15-3-1-2-5-23-15/h1-6,9-11,17H,7-8,12H2
InChIKeyBHBPYWKROGVRCT-UHFFFAOYSA-N
MW410.84 g/mol
LogP3.56
Rot. Bonds3

About 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine

4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine (PubChem CID 139344304) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine
PubChem CID139344304
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine
SMILESFc1cc2ncc(-c3nccc(N4CCOC(c5ccccn5)C4)n3)n2cc1Cl
InChIInChI=1S/C20H16ClFN6O/c21-13-11-28-16(10-25-19(28)9-14(13)22)20-24-6-4-18(26-20)27-7-8-29-17(12-27)15-3-1-2-5-23-15/h1-6,9-11,17H,7-8,12H2
InChIKeyBHBPYWKROGVRCT-UHFFFAOYSA-N
XLogP3.56
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine?
The IUPAC name of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine (CID 139344304) is 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine.
What is the SMILES notation for 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine?
The canonical SMILES for 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine is Fc1cc2ncc(-c3nccc(N4CCOC(c5ccccn5)C4)n3)n2cc1Cl.
What is the InChIKey of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine?
The InChIKey is BHBPYWKROGVRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c21-13-11-28-16(10-25-19(28)9-14(13)22)20-24-6-4-18(26-20)27-7-8-29-17(12-27)15-3-1-2-5-23-15/h1-6,9-11,17H,7-8,12H2.
What are the key properties of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine?
4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine has a molecular weight of 410.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 139344304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).