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

C24H22ClFN6O2 — CID 67257901

IUPAC(2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C([C@H](O)c1cccc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C24H22ClFN6O2/c25-16-4-1-3-15(11-16)22(33)24(34)31-10-2-5-18(14-31)29-20-8-9-27-23(30-20)19-12-28-21-7-6-17(26)13-32(19)21/h1,3-4,6-9,11-13,18,22,33H,2,5,10,14H2,(H,27,29,30)/t18-,22-/m1/s1
InChIKeyYETNRZAEXPPOJA-XMSQKQJNSA-N
MW480.93 g/mol
LogP3.72
Rot. Bonds5

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

(2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 67257901) has the molecular formula C24H22ClFN6O2 and a molecular weight of 480.93 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone
PubChem CID67257901
Molecular FormulaC24H22ClFN6O2
Molecular Weight480.93 g/mol
Exact Mass480.15
IUPAC Name(2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C([C@H](O)c1cccc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C24H22ClFN6O2/c25-16-4-1-3-15(11-16)22(33)24(34)31-10-2-5-18(14-31)29-20-8-9-27-23(30-20)19-12-28-21-7-6-17(26)13-32(19)21/h1,3-4,6-9,11-13,18,22,33H,2,5,10,14H2,(H,27,29,30)/t18-,22-/m1/s1
InChIKeyYETNRZAEXPPOJA-XMSQKQJNSA-N
XLogP3.72
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone (CID 67257901) is (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone is O=C([C@H](O)c1cccc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is YETNRZAEXPPOJA-XMSQKQJNSA-N. The full InChI is InChI=1S/C24H22ClFN6O2/c25-16-4-1-3-15(11-16)22(33)24(34)31-10-2-5-18(14-31)29-20-8-9-27-23(30-20)19-12-28-21-7-6-17(26)13-32(19)21/h1,3-4,6-9,11-13,18,22,33H,2,5,10,14H2,(H,27,29,30)/t18-,22-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
(2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 480.93 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 67257901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).