8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C23H28N8O2 — CID 164945334

IUPAC8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1nc2c(NCC3(C#N)CCNCC3)nc(-c3ccncc3)cn2c1C
InChIInChI=1S/C23H28N8O2/c1-16-19(22(32)27-11-12-33-2)30-21-20(28-15-23(14-24)5-9-26-10-6-23)29-18(13-31(16)21)17-3-7-25-8-4-17/h3-4,7-8,13,26H,5-6,9-12,15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyOSWHJMJDORAMQB-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.78
Rot. Bonds8

About 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 164945334) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID164945334
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1nc2c(NCC3(C#N)CCNCC3)nc(-c3ccncc3)cn2c1C
InChIInChI=1S/C23H28N8O2/c1-16-19(22(32)27-11-12-33-2)30-21-20(28-15-23(14-24)5-9-26-10-6-23)29-18(13-31(16)21)17-3-7-25-8-4-17/h3-4,7-8,13,26H,5-6,9-12,15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyOSWHJMJDORAMQB-UHFFFAOYSA-N
XLogP1.78
TPSA129.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile
CID 175785064
tert-butyl 4-[[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]-4-cyanopiperidine-1-carboxylate
CID 164945336
tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate
CID 164945363
N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine
CID 20550365
3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide
CID 112515463
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 47495568
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120889712
N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
CID 3590372
1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 126852886
(2R)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)propanamide
CID 8959585

Frequently Asked Questions

What is the IUPAC name of 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 164945334) is 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is COCCNC(=O)c1nc2c(NCC3(C#N)CCNCC3)nc(-c3ccncc3)cn2c1C.
What is the InChIKey of 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OSWHJMJDORAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-16-19(22(32)27-11-12-33-2)30-21-20(28-15-23(14-24)5-9-26-10-6-23)29-18(13-31(16)21)17-3-7-25-8-4-17/h3-4,7-8,13,26H,5-6,9-12,15H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-cyanopiperidin-4-yl)methylamino]-N-(2-methoxyethyl)-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 164945334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).