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

C20H23FN6O2 — CID 67240178

IUPAC2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C20H23FN6O2/c1-20(2,19(28)29)26-9-3-4-14(12-26)24-16-7-8-22-18(25-16)15-10-23-17-6-5-13(21)11-27(15)17/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,28,29)(H,22,24,25)/t14-/m1/s1
InChIKeyBURVNRUMXDSIKP-CQSZACIVSA-N
MW398.44 g/mol
LogP2.67
Rot. Bonds5

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

2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid (PubChem CID 67240178) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
PubChem CID67240178
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C20H23FN6O2/c1-20(2,19(28)29)26-9-3-4-14(12-26)24-16-7-8-22-18(25-16)15-10-23-17-6-5-13(21)11-27(15)17/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,28,29)(H,22,24,25)/t14-/m1/s1
InChIKeyBURVNRUMXDSIKP-CQSZACIVSA-N
XLogP2.67
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid (CID 67240178) is 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid?
The InChIKey is BURVNRUMXDSIKP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-20(2,19(28)29)26-9-3-4-14(12-26)24-16-7-8-22-18(25-16)15-10-23-17-6-5-13(21)11-27(15)17/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,28,29)(H,22,24,25)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid?
2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid has a molecular weight of 398.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 67240178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).