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

C26H27FN6O — CID 53260780

IUPAC1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1)c1ccccc1
InChIInChI=1S/C26H27FN6O/c1-18(19-6-3-2-4-7-19)14-25(34)32-13-5-8-21(17-32)30-23-11-12-28-26(31-23)22-15-29-24-10-9-20(27)16-33(22)24/h2-4,6-7,9-12,15-16,18,21H,5,8,13-14,17H2,1H3,(H,28,30,31)/t18?,21-/m1/s1
InChIKeyORWREFUUJKMDBD-BDPMCISCSA-N
MW458.54 g/mol
LogP4.53
Rot. Bonds6

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

1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 53260780) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID53260780
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1)c1ccccc1
InChIInChI=1S/C26H27FN6O/c1-18(19-6-3-2-4-7-19)14-25(34)32-13-5-8-21(17-32)30-23-11-12-28-26(31-23)22-15-29-24-10-9-20(27)16-33(22)24/h2-4,6-7,9-12,15-16,18,21H,5,8,13-14,17H2,1H3,(H,28,30,31)/t18?,21-/m1/s1
InChIKeyORWREFUUJKMDBD-BDPMCISCSA-N
XLogP4.53
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one (CID 53260780) is 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1)c1ccccc1.
What is the InChIKey of 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is ORWREFUUJKMDBD-BDPMCISCSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-18(19-6-3-2-4-7-19)14-25(34)32-13-5-8-21(17-32)30-23-11-12-28-26(31-23)22-15-29-24-10-9-20(27)16-33(22)24/h2-4,6-7,9-12,15-16,18,21H,5,8,13-14,17H2,1H3,(H,28,30,31)/t18?,21-/m1/s1.
What are the key properties of 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one?
1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 458.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 53260780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).