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

C27H24N6O — CID 164616357

IUPAC(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)CC1
InChIInChI=1S/C27H24N6O/c28-23-8-11-32(12-9-23)27(34)19-3-1-18(2-4-19)24-17-33-25(15-31-26(33)16-30-24)21-5-6-22-14-29-10-7-20(22)13-21/h1-7,10,13-17,23H,8-9,11-12,28H2
InChIKeyXEUHVTVNJONCLA-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.17
Rot. Bonds3

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

(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone (PubChem CID 164616357) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone
PubChem CID164616357
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)CC1
InChIInChI=1S/C27H24N6O/c28-23-8-11-32(12-9-23)27(34)19-3-1-18(2-4-19)24-17-33-25(15-31-26(33)16-30-24)21-5-6-22-14-29-10-7-20(22)13-21/h1-7,10,13-17,23H,8-9,11-12,28H2
InChIKeyXEUHVTVNJONCLA-UHFFFAOYSA-N
XLogP4.17
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 134505023
N-[1-[4-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504993
2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504954
1-[4-(4-isoquinolin-6-ylbenzoyl)piperazin-1-yl]ethanone
CID 86267920
isoquinolin-6-yl(piperazin-1-yl)methanone
CID 110485113
1-[4-(4-isoquinolin-6-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 86268139
(4-aminopiperidin-1-yl)-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]methanone;ethane
CID 142946360
1,4-diazepan-1-yl(isoquinolin-6-yl)methanone
CID 110485142
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
CID 118768512
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
CID 164625188

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone (CID 164616357) is (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone is NC1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone?
The InChIKey is XEUHVTVNJONCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c28-23-8-11-32(12-9-23)27(34)19-3-1-18(2-4-19)24-17-33-25(15-31-26(33)16-30-24)21-5-6-22-14-29-10-7-20(22)13-21/h1-7,10,13-17,23H,8-9,11-12,28H2.
What are the key properties of (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone?
(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone has a molecular weight of 448.53 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone is sourced from PubChem (CID 164616357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).