1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one

C19H22FN5O2 — CID 58505911

IUPAC1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
SMILESCn1nc(C(=O)CCCN2CCOCC2)cc1-c1cn2cc(F)ccc2n1
InChIInChI=1S/C19H22FN5O2/c1-23-17(16-13-25-12-14(20)4-5-19(25)21-16)11-15(22-23)18(26)3-2-6-24-7-9-27-10-8-24/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeyIOKPQIITSDKJDG-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.17
Rot. Bonds6

About 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one

1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one (PubChem CID 58505911) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
PubChem CID58505911
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
SMILESCn1nc(C(=O)CCCN2CCOCC2)cc1-c1cn2cc(F)ccc2n1
InChIInChI=1S/C19H22FN5O2/c1-23-17(16-13-25-12-14(20)4-5-19(25)21-16)11-15(22-23)18(26)3-2-6-24-7-9-27-10-8-24/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeyIOKPQIITSDKJDG-UHFFFAOYSA-N
XLogP2.17
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one (CID 58505911) is 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one is Cn1nc(C(=O)CCCN2CCOCC2)cc1-c1cn2cc(F)ccc2n1.
What is the InChIKey of 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
The InChIKey is IOKPQIITSDKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-23-17(16-13-25-12-14(20)4-5-19(25)21-16)11-15(22-23)18(26)3-2-6-24-7-9-27-10-8-24/h4-5,11-13H,2-3,6-10H2,1H3.
What are the key properties of 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one?
1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 371.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 58505911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).