[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone

C26H30N4O2 — CID 67375971

IUPAC[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CC6C(CO)C6C5)c4)nc23)CCCCC1
InChIInChI=1S/C26H30N4O2/c1-26(8-3-2-4-9-26)24(32)18-11-27-25-23(18)29-22(12-28-25)16-6-5-7-17(10-16)30-13-19-20(14-30)21(19)15-31/h5-7,10-12,19-21,31H,2-4,8-9,13-15H2,1H3,(H,27,28)
InChIKeyJGNGTSCSZUDEIX-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.45
Rot. Bonds5

About [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone

[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone (PubChem CID 67375971) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
PubChem CID67375971
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CC6C(CO)C6C5)c4)nc23)CCCCC1
InChIInChI=1S/C26H30N4O2/c1-26(8-3-2-4-9-26)24(32)18-11-27-25-23(18)29-22(12-28-25)16-6-5-7-17(10-16)30-13-19-20(14-30)21(19)15-31/h5-7,10-12,19-21,31H,2-4,8-9,13-15H2,1H3,(H,27,28)
InChIKeyJGNGTSCSZUDEIX-UHFFFAOYSA-N
XLogP4.45
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone (CID 67375971) is [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone is CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CC6C(CO)C6C5)c4)nc23)CCCCC1.
What is the InChIKey of [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is JGNGTSCSZUDEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-26(8-3-2-4-9-26)24(32)18-11-27-25-23(18)29-22(12-28-25)16-6-5-7-17(10-16)30-13-19-20(14-30)21(19)15-31/h5-7,10-12,19-21,31H,2-4,8-9,13-15H2,1H3,(H,27,28).
What are the key properties of [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 430.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 67375971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).