N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine

C27H39N5 — CID 170751102

IUPACN-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine
SMILESCC1CCNCC1.Cc1cccc(-c2cnc(NC3CCCCCCC3)c3nccn23)c1
InChIInChI=1S/C21H26N4.C6H13N/c1-16-8-7-9-17(14-16)19-15-23-20(21-22-12-13-25(19)21)24-18-10-5-3-2-4-6-11-18;1-6-2-4-7-5-3-6/h7-9,12-15,18H,2-6,10-11H2,1H3,(H,23,24);6-7H,2-5H2,1H3
InChIKeyXEHRUKWRAFQWMA-UHFFFAOYSA-N
MW433.64 g/mol
LogP6.24
Rot. Bonds3

About N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine

N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine (PubChem CID 170751102) has the molecular formula C27H39N5 and a molecular weight of 433.64 g/mol. Its IUPAC name is N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine.

Molecular Properties

Compound NameN-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine
PubChem CID170751102
Molecular FormulaC27H39N5
Molecular Weight433.64 g/mol
Exact Mass433.32
IUPAC NameN-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine
SMILESCC1CCNCC1.Cc1cccc(-c2cnc(NC3CCCCCCC3)c3nccn23)c1
InChIInChI=1S/C21H26N4.C6H13N/c1-16-8-7-9-17(14-16)19-15-23-20(21-22-12-13-25(19)21)24-18-10-5-3-2-4-6-11-18;1-6-2-4-7-5-3-6/h7-9,12-15,18H,2-6,10-11H2,1H3,(H,23,24);6-7H,2-5H2,1H3
InChIKeyXEHRUKWRAFQWMA-UHFFFAOYSA-N
XLogP6.24
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
Miransertib
CID 53262401
SB-220025
CID 5164
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
L-790070
CID 9806182
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
Bms 345541
CID 9926054
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine?
The IUPAC name of N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine (CID 170751102) is N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine.
What is the SMILES notation for N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine?
The canonical SMILES for N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine is CC1CCNCC1.Cc1cccc(-c2cnc(NC3CCCCCCC3)c3nccn23)c1.
What is the InChIKey of N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine?
The InChIKey is XEHRUKWRAFQWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4.C6H13N/c1-16-8-7-9-17(14-16)19-15-23-20(21-22-12-13-25(19)21)24-18-10-5-3-2-4-6-11-18;1-6-2-4-7-5-3-6/h7-9,12-15,18H,2-6,10-11H2,1H3,(H,23,24);6-7H,2-5H2,1H3.
What are the key properties of N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine?
N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine has a molecular weight of 433.64 g/mol, XLogP of 6.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine;4-methylpiperidine is sourced from PubChem (CID 170751102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).