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

C24H26Cl2N6 — CID 46906624

IUPAC1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESCN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3Cl)CCN4)cn2)CC1
InChIInChI=1S/C24H26Cl2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29)
InChIKeyCSYSNPSPLOLFFI-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.63
Rot. Bonds4

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

1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 46906624) has the molecular formula C24H26Cl2N6 and a molecular weight of 469.42 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
PubChem CID46906624
Molecular FormulaC24H26Cl2N6
Molecular Weight469.42 g/mol
Exact Mass468.16
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESCN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3Cl)CCN4)cn2)CC1
InChIInChI=1S/C24H26Cl2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29)
InChIKeyCSYSNPSPLOLFFI-UHFFFAOYSA-N
XLogP4.63
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (CID 46906624) is 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3Cl)CCN4)cn2)CC1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The InChIKey is CSYSNPSPLOLFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29).
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 469.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 46906624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).