(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H20ClN5O — CID 56899544

IUPAC(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn2cc(Cl)cnc2n1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H20ClN5O/c17-12-8-18-16-19-14(11-22(16)9-12)15(23)21-7-3-4-13(10-21)20-5-1-2-6-20/h8-9,11,13H,1-7,10H2
InChIKeyBUJYRIQXCSIWFS-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.08
Rot. Bonds2

About (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56899544) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56899544
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn2cc(Cl)cnc2n1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H20ClN5O/c17-12-8-18-16-19-14(11-22(16)9-12)15(23)21-7-3-4-13(10-21)20-5-1-2-6-20/h8-9,11,13H,1-7,10H2
InChIKeyBUJYRIQXCSIWFS-UHFFFAOYSA-N
XLogP2.08
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56899544) is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cn2cc(Cl)cnc2n1)N1CCCC(N2CCCC2)C1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is BUJYRIQXCSIWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c17-12-8-18-16-19-14(11-22(16)9-12)15(23)21-7-3-4-13(10-21)20-5-1-2-6-20/h8-9,11,13H,1-7,10H2.
What are the key properties of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 333.82 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56899544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).