(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine

C17H19ClN6 — CID 139344427

IUPAC(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
SMILESC[C@@H]1C[C@@H](N)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C17H19ClN6/c1-11-6-13(19)10-23(8-11)16-4-5-20-17(22-16)14-7-21-15-3-2-12(18)9-24(14)15/h2-5,7,9,11,13H,6,8,10,19H2,1H3/t11-,13-/m1/s1
InChIKeyYQQWLNBNEBNCLC-DGCLKSJQSA-N
MW342.83 g/mol
LogP2.62
Rot. Bonds2

About (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine

(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine (PubChem CID 139344427) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
PubChem CID139344427
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
SMILESC[C@@H]1C[C@@H](N)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C17H19ClN6/c1-11-6-13(19)10-23(8-11)16-4-5-20-17(22-16)14-7-21-15-3-2-12(18)9-24(14)15/h2-5,7,9,11,13H,6,8,10,19H2,1H3/t11-,13-/m1/s1
InChIKeyYQQWLNBNEBNCLC-DGCLKSJQSA-N
XLogP2.62
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine?
The IUPAC name of (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine (CID 139344427) is (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine.
What is the SMILES notation for (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine?
The canonical SMILES for (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine is C[C@@H]1C[C@@H](N)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.
What is the InChIKey of (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine?
The InChIKey is YQQWLNBNEBNCLC-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H19ClN6/c1-11-6-13(19)10-23(8-11)16-4-5-20-17(22-16)14-7-21-15-3-2-12(18)9-24(14)15/h2-5,7,9,11,13H,6,8,10,19H2,1H3/t11-,13-/m1/s1.
What are the key properties of (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine?
(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine has a molecular weight of 342.83 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 139344427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).