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

C27H23N5O — CID 164625188

IUPACpiperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cnc5ccccc5c4)n3c2)cc1)N1CCNCC1
InChIInChI=1S/C27H23N5O/c33-27(31-13-11-28-12-14-31)20-7-5-19(6-8-20)22-9-10-26-30-17-25(32(26)18-22)23-15-21-3-1-2-4-24(21)29-16-23/h1-10,15-18,28H,11-14H2
InChIKeyRNFXZZCKTTUGHL-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.26
Rot. Bonds3

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

piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (PubChem CID 164625188) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
PubChem CID164625188
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Namepiperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cnc5ccccc5c4)n3c2)cc1)N1CCNCC1
InChIInChI=1S/C27H23N5O/c33-27(31-13-11-28-12-14-31)20-7-5-19(6-8-20)22-9-10-26-30-17-25(32(26)18-22)23-15-21-3-1-2-4-24(21)29-16-23/h1-10,15-18,28H,11-14H2
InChIKeyRNFXZZCKTTUGHL-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 piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The IUPAC name of piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (CID 164625188) is piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The canonical SMILES for piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is O=C(c1ccc(-c2ccc3ncc(-c4cnc5ccccc5c4)n3c2)cc1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The InChIKey is RNFXZZCKTTUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c33-27(31-13-11-28-12-14-31)20-7-5-19(6-8-20)22-9-10-26-30-17-25(32(26)18-22)23-15-21-3-1-2-4-24(21)29-16-23/h1-10,15-18,28H,11-14H2.
What are the key properties of piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone 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 piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is sourced from PubChem (CID 164625188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).