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

C27H22N4O2 — CID 164621069

IUPAC[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCOCC1
InChIInChI=1S/C27H22N4O2/c32-27(30-11-13-33-14-12-30)20-3-1-19(2-4-20)24-7-8-26-29-17-25(31(26)18-24)22-5-6-23-16-28-10-9-21(23)15-22/h1-10,15-18H,11-14H2
InChIKeyTVPNRZPKPMXWJO-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.69
Rot. Bonds3

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

[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 164621069) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID164621069
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCOCC1
InChIInChI=1S/C27H22N4O2/c32-27(30-11-13-33-14-12-30)20-3-1-19(2-4-20)24-7-8-26-29-17-25(31(26)18-24)22-5-6-23-16-28-10-9-21(23)15-22/h1-10,15-18H,11-14H2
InChIKeyTVPNRZPKPMXWJO-UHFFFAOYSA-N
XLogP4.69
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
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]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone (CID 164621069) is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCOCC1.
What is the InChIKey of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is TVPNRZPKPMXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c32-27(30-11-13-33-14-12-30)20-3-1-19(2-4-20)24-7-8-26-29-17-25(31(26)18-24)22-5-6-23-16-28-10-9-21(23)15-22/h1-10,15-18H,11-14H2.
What are the key properties of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone?
[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 434.50 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 164621069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).