[2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone

C26H32N4O — CID 59540792

IUPAC[2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
SMILESCN(c1cccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)c1)C1CCCC1
InChIInChI=1S/C26H32N4O/c1-26(13-6-3-7-14-26)24(31)21-16-27-25-23(21)29-22(17-28-25)18-9-8-12-20(15-18)30(2)19-10-4-5-11-19/h8-9,12,15-17,19H,3-7,10-11,13-14H2,1-2H3,(H,27,28)
InChIKeyFAGYLBQLJRUPHZ-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.16
Rot. Bonds5

About [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone

[2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone (PubChem CID 59540792) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
PubChem CID59540792
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name[2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
SMILESCN(c1cccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)c1)C1CCCC1
InChIInChI=1S/C26H32N4O/c1-26(13-6-3-7-14-26)24(31)21-16-27-25-23(21)29-22(17-28-25)18-9-8-12-20(15-18)30(2)19-10-4-5-11-19/h8-9,12,15-17,19H,3-7,10-11,13-14H2,1-2H3,(H,27,28)
InChIKeyFAGYLBQLJRUPHZ-UHFFFAOYSA-N
XLogP6.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone (CID 59540792) is [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone is CN(c1cccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)c1)C1CCCC1.
What is the InChIKey of [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is FAGYLBQLJRUPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-26(13-6-3-7-14-26)24(31)21-16-27-25-23(21)29-22(17-28-25)18-9-8-12-20(15-18)30(2)19-10-4-5-11-19/h8-9,12,15-17,19H,3-7,10-11,13-14H2,1-2H3,(H,27,28).
What are the key properties of [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone?
[2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 416.57 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[cyclopentyl(methyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 59540792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).