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

C24H22ClFN6O2 — CID 53260787

IUPAC2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C24H22ClFN6O2/c25-16-3-1-5-19(11-16)34-15-23(33)31-10-2-4-18(14-31)29-21-8-9-27-24(30-21)20-12-28-22-7-6-17(26)13-32(20)22/h1,3,5-9,11-13,18H,2,4,10,14-15H2,(H,27,29,30)/t18-/m1/s1
InChIKeyBWVUANOVXXZWCF-GOSISDBHSA-N
MW480.93 g/mol
LogP4.07
Rot. Bonds6

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

2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (PubChem CID 53260787) has the molecular formula C24H22ClFN6O2 and a molecular weight of 480.93 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
PubChem CID53260787
Molecular FormulaC24H22ClFN6O2
Molecular Weight480.93 g/mol
Exact Mass480.15
IUPAC Name2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C24H22ClFN6O2/c25-16-3-1-5-19(11-16)34-15-23(33)31-10-2-4-18(14-31)29-21-8-9-27-24(30-21)20-12-28-22-7-6-17(26)13-32(20)22/h1,3,5-9,11-13,18H,2,4,10,14-15H2,(H,27,29,30)/t18-/m1/s1
InChIKeyBWVUANOVXXZWCF-GOSISDBHSA-N
XLogP4.07
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (CID 53260787) is 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is O=C(COc1cccc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is BWVUANOVXXZWCF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22ClFN6O2/c25-16-3-1-5-19(11-16)34-15-23(33)31-10-2-4-18(14-31)29-21-8-9-27-24(30-21)20-12-28-22-7-6-17(26)13-32(20)22/h1,3,5-9,11-13,18H,2,4,10,14-15H2,(H,27,29,30)/t18-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 480.93 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 53260787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).