7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine

C19H21N5 — CID 151069738

IUPAC7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCn1cc(-c2cnc3[nH]cc(CC(C)(C)C)c3n2)c2cccnc21
InChIInChI=1S/C19H21N5/c1-19(2,3)8-12-9-21-17-16(12)23-15(10-22-17)14-11-24(4)18-13(14)6-5-7-20-18/h5-7,9-11H,8H2,1-4H3,(H,21,22)
InChIKeyMHWSKDOOHLMCDQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.10
Rot. Bonds2

About 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine

7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 151069738) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID151069738
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCn1cc(-c2cnc3[nH]cc(CC(C)(C)C)c3n2)c2cccnc21
InChIInChI=1S/C19H21N5/c1-19(2,3)8-12-9-21-17-16(12)23-15(10-22-17)14-11-24(4)18-13(14)6-5-7-20-18/h5-7,9-11H,8H2,1-4H3,(H,21,22)
InChIKeyMHWSKDOOHLMCDQ-UHFFFAOYSA-N
XLogP4.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 151069738) is 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine is Cn1cc(-c2cnc3[nH]cc(CC(C)(C)C)c3n2)c2cccnc21.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is MHWSKDOOHLMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-19(2,3)8-12-9-21-17-16(12)23-15(10-22-17)14-11-24(4)18-13(14)6-5-7-20-18/h5-7,9-11H,8H2,1-4H3,(H,21,22).
What are the key properties of 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine?
7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 319.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 151069738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).