[(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone

C28H25N5O — CID 164611729

IUPAC[(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)C1
InChIInChI=1S/C28H25N5O/c29-25-2-1-13-32(18-25)28(34)20-5-3-19(4-6-20)24-9-10-27-31-16-26(33(27)17-24)22-7-8-23-15-30-12-11-21(23)14-22/h3-12,14-17,25H,1-2,13,18,29H2/t25-/m1/s1
InChIKeyQSNAMJCLIIQNPP-RUZDIDTESA-N
MW447.54 g/mol
LogP4.78
Rot. Bonds3

About [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (PubChem CID 164611729) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
PubChem CID164611729
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)C1
InChIInChI=1S/C28H25N5O/c29-25-2-1-13-32(18-25)28(34)20-5-3-19(4-6-20)24-9-10-27-31-16-26(33(27)17-24)22-7-8-23-15-30-12-11-21(23)14-22/h3-12,14-17,25H,1-2,13,18,29H2/t25-/m1/s1
InChIKeyQSNAMJCLIIQNPP-RUZDIDTESA-N
XLogP4.78
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (CID 164611729) is [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The InChIKey is QSNAMJCLIIQNPP-RUZDIDTESA-N. The full InChI is InChI=1S/C28H25N5O/c29-25-2-1-13-32(18-25)28(34)20-5-3-19(4-6-20)24-9-10-27-31-16-26(33(27)17-24)22-7-8-23-15-30-12-11-21(23)14-22/h3-12,14-17,25H,1-2,13,18,29H2/t25-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone has a molecular weight of 447.54 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is sourced from PubChem (CID 164611729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).