(1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

C23H26N4O — CID 59540641

IUPAC(1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5)c4)nc23)CCCC1
InChIInChI=1S/C23H26N4O/c1-23(9-2-3-10-23)21(28)18-14-24-22-20(18)26-19(15-25-22)16-7-6-8-17(13-16)27-11-4-5-12-27/h6-8,13-15H,2-5,9-12H2,1H3,(H,24,25)
InChIKeyBFUYFCVXRGTCAG-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.99
Rot. Bonds4

About (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

(1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (PubChem CID 59540641) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
PubChem CID59540641
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5)c4)nc23)CCCC1
InChIInChI=1S/C23H26N4O/c1-23(9-2-3-10-23)21(28)18-14-24-22-20(18)26-19(15-25-22)16-7-6-8-17(13-16)27-11-4-5-12-27/h6-8,13-15H,2-5,9-12H2,1H3,(H,24,25)
InChIKeyBFUYFCVXRGTCAG-UHFFFAOYSA-N
XLogP4.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The IUPAC name of (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (CID 59540641) is (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.
What is the SMILES notation for (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The canonical SMILES for (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5)c4)nc23)CCCC1.
What is the InChIKey of (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The InChIKey is BFUYFCVXRGTCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(9-2-3-10-23)21(28)18-14-24-22-20(18)26-19(15-25-22)16-7-6-8-17(13-16)27-11-4-5-12-27/h6-8,13-15H,2-5,9-12H2,1H3,(H,24,25).
What are the key properties of (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
(1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl)-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is sourced from PubChem (CID 59540641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).