N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine

C23H28N6 — CID 90038935

IUPACN-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESCc1ccc(C)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C23H28N6/c1-16-3-4-17(2)18(13-16)15-28-9-11-29(12-10-28)23-22(25-19-5-6-19)26-20-7-8-24-14-21(20)27-23/h3-4,7-8,13-14,19H,5-6,9-12,15H2,1-2H3,(H,25,26)
InChIKeyHVSMKAAGFDVEQZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.54
Rot. Bonds5

About N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine

N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine (PubChem CID 90038935) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
PubChem CID90038935
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC NameN-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESCc1ccc(C)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C23H28N6/c1-16-3-4-17(2)18(13-16)15-28-9-11-29(12-10-28)23-22(25-19-5-6-19)26-20-7-8-24-14-21(20)27-23/h3-4,7-8,13-14,19H,5-6,9-12,15H2,1-2H3,(H,25,26)
InChIKeyHVSMKAAGFDVEQZ-UHFFFAOYSA-N
XLogP3.54
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine (CID 90038935) is N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine is Cc1ccc(C)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is HVSMKAAGFDVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-16-3-4-17(2)18(13-16)15-28-9-11-29(12-10-28)23-22(25-19-5-6-19)26-20-7-8-24-14-21(20)27-23/h3-4,7-8,13-14,19H,5-6,9-12,15H2,1-2H3,(H,25,26).
What are the key properties of N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 388.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 90038935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).