1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea

C26H28N6O2 — CID 122602347

IUPAC1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
SMILESCOCCN1CC(NC(=O)Nc2c(-c3ccccc3)nc3cnccn23)C(c2ccccc2)C1
InChIInChI=1S/C26H28N6O2/c1-34-15-14-31-17-21(19-8-4-2-5-9-19)22(18-31)28-26(33)30-25-24(20-10-6-3-7-11-20)29-23-16-27-12-13-32(23)25/h2-13,16,21-22H,14-15,17-18H2,1H3,(H2,28,30,33)
InChIKeyMGBMVTZKHZQHRM-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.63
Rot. Bonds7

About 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea

1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea (PubChem CID 122602347) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
PubChem CID122602347
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
SMILESCOCCN1CC(NC(=O)Nc2c(-c3ccccc3)nc3cnccn23)C(c2ccccc2)C1
InChIInChI=1S/C26H28N6O2/c1-34-15-14-31-17-21(19-8-4-2-5-9-19)22(18-31)28-26(33)30-25-24(20-10-6-3-7-11-20)29-23-16-27-12-13-32(23)25/h2-13,16,21-22H,14-15,17-18H2,1H3,(H2,28,30,33)
InChIKeyMGBMVTZKHZQHRM-UHFFFAOYSA-N
XLogP3.63
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea (CID 122602347) is 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea is COCCN1CC(NC(=O)Nc2c(-c3ccccc3)nc3cnccn23)C(c2ccccc2)C1.
What is the InChIKey of 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
The InChIKey is MGBMVTZKHZQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-34-15-14-31-17-21(19-8-4-2-5-9-19)22(18-31)28-26(33)30-25-24(20-10-6-3-7-11-20)29-23-16-27-12-13-32(23)25/h2-13,16,21-22H,14-15,17-18H2,1H3,(H2,28,30,33).
What are the key properties of 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea has a molecular weight of 456.55 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylimidazo[1,2-a]pyrazin-3-yl)urea is sourced from PubChem (CID 122602347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).