[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone

C27H23N5O — CID 164620525

IUPAC[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCNCC1
InChIInChI=1S/C27H23N5O/c33-27(31-13-11-28-12-14-31)20-3-1-19(2-4-20)24-7-8-26-30-17-25(32(26)18-24)22-5-6-23-16-29-10-9-21(23)15-22/h1-10,15-18,28H,11-14H2
InChIKeyLZWVSDSGWLASHL-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.26
Rot. Bonds3

About [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone

[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone (PubChem CID 164620525) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone
PubChem CID164620525
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCNCC1
InChIInChI=1S/C27H23N5O/c33-27(31-13-11-28-12-14-31)20-3-1-19(2-4-20)24-7-8-26-30-17-25(32(26)18-24)22-5-6-23-16-29-10-9-21(23)15-22/h1-10,15-18,28H,11-14H2
InChIKeyLZWVSDSGWLASHL-UHFFFAOYSA-N
XLogP4.26
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone (CID 164620525) is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCNCC1.
What is the InChIKey of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is LZWVSDSGWLASHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c33-27(31-13-11-28-12-14-31)20-3-1-19(2-4-20)24-7-8-26-30-17-25(32(26)18-24)22-5-6-23-16-29-10-9-21(23)15-22/h1-10,15-18,28H,11-14H2.
What are the key properties of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone?
[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 433.52 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 164620525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).