7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C20H26N8 — CID 66554658

IUPAC7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCN3C)n2)cn1
InChIInChI=1S/C20H26N8/c1-27(2)18-5-4-14(11-24-18)16-10-17-19(23-7-6-22-17)20(26-16)25-13-15-12-21-8-9-28(15)3/h4-7,10-11,15,21H,8-9,12-13H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyCOWZMOOYUJTEOM-OAHLLOKOSA-N
MW378.48 g/mol
LogP1.47
Rot. Bonds5

About 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66554658) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID66554658
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCN3C)n2)cn1
InChIInChI=1S/C20H26N8/c1-27(2)18-5-4-14(11-24-18)16-10-17-19(23-7-6-22-17)20(26-16)25-13-15-12-21-8-9-28(15)3/h4-7,10-11,15,21H,8-9,12-13H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyCOWZMOOYUJTEOM-OAHLLOKOSA-N
XLogP1.47
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 66554658) is 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCN3C)n2)cn1.
What is the InChIKey of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is COWZMOOYUJTEOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N8/c1-27(2)18-5-4-14(11-24-18)16-10-17-19(23-7-6-22-17)20(26-16)25-13-15-12-21-8-9-28(15)3/h4-7,10-11,15,21H,8-9,12-13H2,1-3H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 378.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66554658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).