N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine

C27H24N6 — CID 86274022

IUPACN-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCc1cc(-c2cnc3c(NCc4ccc(-c5ccnc(C)c5)c(C)c4)nccc3n2)ccn1
InChIInChI=1S/C27H24N6/c1-17-12-20(4-5-23(17)21-6-9-28-18(2)13-21)15-32-27-26-24(8-11-30-27)33-25(16-31-26)22-7-10-29-19(3)14-22/h4-14,16H,15H2,1-3H3,(H,30,32)
InChIKeyGPNHHXNZNUKIAO-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.69
Rot. Bonds5

About N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine

N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 86274022) has the molecular formula C27H24N6 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID86274022
Molecular FormulaC27H24N6
Molecular Weight432.53 g/mol
Exact Mass432.21
IUPAC NameN-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCc1cc(-c2cnc3c(NCc4ccc(-c5ccnc(C)c5)c(C)c4)nccc3n2)ccn1
InChIInChI=1S/C27H24N6/c1-17-12-20(4-5-23(17)21-6-9-28-18(2)13-21)15-32-27-26-24(8-11-30-27)33-25(16-31-26)22-7-10-29-19(3)14-22/h4-14,16H,15H2,1-3H3,(H,30,32)
InChIKeyGPNHHXNZNUKIAO-UHFFFAOYSA-N
XLogP5.69
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine (CID 86274022) is N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine is Cc1cc(-c2cnc3c(NCc4ccc(-c5ccnc(C)c5)c(C)c4)nccc3n2)ccn1.
What is the InChIKey of N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is GPNHHXNZNUKIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6/c1-17-12-20(4-5-23(17)21-6-9-28-18(2)13-21)15-32-27-26-24(8-11-30-27)33-25(16-31-26)22-7-10-29-19(3)14-22/h4-14,16H,15H2,1-3H3,(H,30,32).
What are the key properties of N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 432.53 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 86274022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).