[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone

C25H30N6O — CID 71839301

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCN(c4cnc5nccnc5c4)CC3)CC2)c1
InChIInChI=1S/C25H30N6O/c1-18-3-4-19(2)23(15-18)30-11-13-31(14-12-30)25(32)20-5-9-29(10-6-20)21-16-22-24(28-17-21)27-8-7-26-22/h3-4,7-8,15-17,20H,5-6,9-14H2,1-2H3
InChIKeyYHPBGAOJLASOKX-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.21
Rot. Bonds3

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone (PubChem CID 71839301) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
PubChem CID71839301
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCN(c4cnc5nccnc5c4)CC3)CC2)c1
InChIInChI=1S/C25H30N6O/c1-18-3-4-19(2)23(15-18)30-11-13-31(14-12-30)25(32)20-5-9-29(10-6-20)21-16-22-24(28-17-21)27-8-7-26-22/h3-4,7-8,15-17,20H,5-6,9-14H2,1-2H3
InChIKeyYHPBGAOJLASOKX-UHFFFAOYSA-N
XLogP3.21
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839299
(1-cyclopropylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 138993514
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520402
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53085480
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 71839302
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone
CID 95100890
2-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 46390643
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone
CID 50767346
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 91952338

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone (CID 71839301) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone is Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4cnc5nccnc5c4)CC3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone?
The InChIKey is YHPBGAOJLASOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-18-3-4-19(2)23(15-18)30-11-13-31(14-12-30)25(32)20-5-9-29(10-6-20)21-16-22-24(28-17-21)27-8-7-26-22/h3-4,7-8,15-17,20H,5-6,9-14H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone has a molecular weight of 430.56 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 71839301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).