1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine

C25H30Cl2N6 — CID 134291981

IUPAC1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine
SMILESCC1NC2=C(C=C1c1ccc(N3CCN(C)CC3)nc1)N(Cc1cc(Cl)ccc1Cl)CCN2
InChIInChI=1S/C25H30Cl2N6/c1-17-21(18-3-6-24(29-15-18)32-11-9-31(2)10-12-32)14-23-25(30-17)28-7-8-33(23)16-19-13-20(26)4-5-22(19)27/h3-6,13-15,17,28,30H,7-12,16H2,1-2H3
InChIKeyORQBEGGDUVQJMI-UHFFFAOYSA-N
MW485.46 g/mol
LogP3.79
Rot. Bonds4

About 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine

1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 134291981) has the molecular formula C25H30Cl2N6 and a molecular weight of 485.46 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine
PubChem CID134291981
Molecular FormulaC25H30Cl2N6
Molecular Weight485.46 g/mol
Exact Mass484.19
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine
SMILESCC1NC2=C(C=C1c1ccc(N3CCN(C)CC3)nc1)N(Cc1cc(Cl)ccc1Cl)CCN2
InChIInChI=1S/C25H30Cl2N6/c1-17-21(18-3-6-24(29-15-18)32-11-9-31(2)10-12-32)14-23-25(30-17)28-7-8-33(23)16-19-13-20(26)4-5-22(19)27/h3-6,13-15,17,28,30H,7-12,16H2,1-2H3
InChIKeyORQBEGGDUVQJMI-UHFFFAOYSA-N
XLogP3.79
TPSA46.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine (CID 134291981) is 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine is CC1NC2=C(C=C1c1ccc(N3CCN(C)CC3)nc1)N(Cc1cc(Cl)ccc1Cl)CCN2.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine?
The InChIKey is ORQBEGGDUVQJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N6/c1-17-21(18-3-6-24(29-15-18)32-11-9-31(2)10-12-32)14-23-25(30-17)28-7-8-33(23)16-19-13-20(26)4-5-22(19)27/h3-6,13-15,17,28,30H,7-12,16H2,1-2H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine?
1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 485.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-6-methyl-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4,5,6-tetrahydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 134291981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).