2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine

C26H37N9 — CID 170361109

IUPAC2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine
SMILESCCc1nc2c(-c3ccc(N4CCC(N5CCN(C)CC5)CC4)nn3)cnc(NC)c2nc1CC
InChIInChI=1S/C26H37N9/c1-5-20-21(6-2)30-25-24(29-20)19(17-28-26(25)27-3)22-7-8-23(32-31-22)35-11-9-18(10-12-35)34-15-13-33(4)14-16-34/h7-8,17-18H,5-6,9-16H2,1-4H3,(H,27,28)
InChIKeyYEBJJYONYMKWDS-UHFFFAOYSA-N
MW475.65 g/mol
LogP2.86
Rot. Bonds6

About 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine

2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 170361109) has the molecular formula C26H37N9 and a molecular weight of 475.65 g/mol. Its IUPAC name is 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID170361109
Molecular FormulaC26H37N9
Molecular Weight475.65 g/mol
Exact Mass475.32
IUPAC Name2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine
SMILESCCc1nc2c(-c3ccc(N4CCC(N5CCN(C)CC5)CC4)nn3)cnc(NC)c2nc1CC
InChIInChI=1S/C26H37N9/c1-5-20-21(6-2)30-25-24(29-20)19(17-28-26(25)27-3)22-7-8-23(32-31-22)35-11-9-18(10-12-35)34-15-13-33(4)14-16-34/h7-8,17-18H,5-6,9-16H2,1-4H3,(H,27,28)
InChIKeyYEBJJYONYMKWDS-UHFFFAOYSA-N
XLogP2.86
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.65
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine (CID 170361109) is 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine is CCc1nc2c(-c3ccc(N4CCC(N5CCN(C)CC5)CC4)nn3)cnc(NC)c2nc1CC.
What is the InChIKey of 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is YEBJJYONYMKWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N9/c1-5-20-21(6-2)30-25-24(29-20)19(17-28-26(25)27-3)22-7-8-23(32-31-22)35-11-9-18(10-12-35)34-15-13-33(4)14-16-34/h7-8,17-18H,5-6,9-16H2,1-4H3,(H,27,28).
What are the key properties of 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine?
2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 475.65 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 170361109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).