2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine

C18H18F4N6O — CID 70922035

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(-c2cnc3ccc(F)cn23)nc(OC[C@@H]2CCCNC2)c1C(F)(F)F
InChIInChI=1S/C18H18F4N6O/c19-11-3-4-13-25-7-12(28(13)8-11)16-26-15(23)14(18(20,21)22)17(27-16)29-9-10-2-1-5-24-6-10/h3-4,7-8,10,24H,1-2,5-6,9H2,(H2,23,26,27)/t10-/m1/s1
InChIKeyHFJLJDZVPIJXDL-SNVBAGLBSA-N
MW410.38 g/mol
LogP2.91
Rot. Bonds4

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 70922035) has the molecular formula C18H18F4N6O and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID70922035
Molecular FormulaC18H18F4N6O
Molecular Weight410.38 g/mol
Exact Mass410.15
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(-c2cnc3ccc(F)cn23)nc(OC[C@@H]2CCCNC2)c1C(F)(F)F
InChIInChI=1S/C18H18F4N6O/c19-11-3-4-13-25-7-12(28(13)8-11)16-26-15(23)14(18(20,21)22)17(27-16)29-9-10-2-1-5-24-6-10/h3-4,7-8,10,24H,1-2,5-6,9H2,(H2,23,26,27)/t10-/m1/s1
InChIKeyHFJLJDZVPIJXDL-SNVBAGLBSA-N
XLogP2.91
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine (CID 70922035) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine is Nc1nc(-c2cnc3ccc(F)cn23)nc(OC[C@@H]2CCCNC2)c1C(F)(F)F.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HFJLJDZVPIJXDL-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18F4N6O/c19-11-3-4-13-25-7-12(28(13)8-11)16-26-15(23)14(18(20,21)22)17(27-16)29-9-10-2-1-5-24-6-10/h3-4,7-8,10,24H,1-2,5-6,9H2,(H2,23,26,27)/t10-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 410.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 70922035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).