2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid

C20H22ClN5O2 — CID 139344568

IUPAC2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C20H22ClN5O2/c1-20(2,19(27)28)13-4-3-9-25(11-13)17-7-8-22-18(24-17)15-10-23-16-6-5-14(21)12-26(15)16/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,28)
InChIKeyZWTWIELXZVRTCL-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.77
Rot. Bonds4

About 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 139344568) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID139344568
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C20H22ClN5O2/c1-20(2,19(27)28)13-4-3-9-25(11-13)17-7-8-22-18(24-17)15-10-23-16-6-5-14(21)12-26(15)16/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,28)
InChIKeyZWTWIELXZVRTCL-UHFFFAOYSA-N
XLogP3.77
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid (CID 139344568) is 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.
What is the InChIKey of 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is ZWTWIELXZVRTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-20(2,19(27)28)13-4-3-9-25(11-13)17-7-8-22-18(24-17)15-10-23-16-6-5-14(21)12-26(15)16/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,28).
What are the key properties of 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 399.88 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 139344568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).