1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine

C19H24N4 — CID 139958684

IUPAC1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(-c2ccc(C(C)(C)C)cc2)[nH]c2nccnc12
InChIInChI=1S/C19H24N4/c1-19(2,3)14-8-6-13(7-9-14)16-15(12-23(4)5)17-18(22-16)21-11-10-20-17/h6-11H,12H2,1-5H3,(H,21,22)
InChIKeyFXMMOLBBDWRTOX-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.98
Rot. Bonds3

About 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine

1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine (PubChem CID 139958684) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine
PubChem CID139958684
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(-c2ccc(C(C)(C)C)cc2)[nH]c2nccnc12
InChIInChI=1S/C19H24N4/c1-19(2,3)14-8-6-13(7-9-14)16-15(12-23(4)5)17-18(22-16)21-11-10-20-17/h6-11H,12H2,1-5H3,(H,21,22)
InChIKeyFXMMOLBBDWRTOX-UHFFFAOYSA-N
XLogP3.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine (CID 139958684) is 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine is CN(C)Cc1c(-c2ccc(C(C)(C)C)cc2)[nH]c2nccnc12.
What is the InChIKey of 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine?
The InChIKey is FXMMOLBBDWRTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-19(2,3)14-8-6-13(7-9-14)16-15(12-23(4)5)17-18(22-16)21-11-10-20-17/h6-11H,12H2,1-5H3,(H,21,22).
What are the key properties of 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine?
1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine has a molecular weight of 308.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 139958684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).