2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine

C19H22N4 — CID 58177256

IUPAC2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESC[C@@H]1CCC[C@@H](Cc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C19H22N4/c1-13-4-2-5-14(10-13)11-17-15(6-3-8-20-17)18-12-22-19-16(23-18)7-9-21-19/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyRYBWUZSPWOIEBI-ZIAGYGMSSA-N
MW306.41 g/mol
LogP4.39
Rot. Bonds3

About 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine

2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 58177256) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID58177256
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESC[C@@H]1CCC[C@@H](Cc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C19H22N4/c1-13-4-2-5-14(10-13)11-17-15(6-3-8-20-17)18-12-22-19-16(23-18)7-9-21-19/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyRYBWUZSPWOIEBI-ZIAGYGMSSA-N
XLogP4.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine (CID 58177256) is 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine is C[C@@H]1CCC[C@@H](Cc2ncccc2-c2cnc3[nH]ccc3n2)C1.
What is the InChIKey of 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is RYBWUZSPWOIEBI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-4-2-5-14(10-13)11-17-15(6-3-8-20-17)18-12-22-19-16(23-18)7-9-21-19/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,21,22)/t13-,14-/m1/s1.
What are the key properties of 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine?
2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 306.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,3R)-3-methylcyclohexyl]methyl]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 58177256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).