1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

C19H25ClN6O2 — CID 142715552

IUPAC1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)Nc2nccnc2OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN6O2/c1-25-9-11-26(12-10-25)8-7-23-19(27)24-17-18(22-6-5-21-17)28-14-15-3-2-4-16(20)13-15/h2-6,13H,7-12,14H2,1H3,(H2,21,23,24,27)
InChIKeyWDGJBCJGOCQIOT-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.08
Rot. Bonds7

About 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (PubChem CID 142715552) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
PubChem CID142715552
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC Name1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)Nc2nccnc2OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN6O2/c1-25-9-11-26(12-10-25)8-7-23-19(27)24-17-18(22-6-5-21-17)28-14-15-3-2-4-16(20)13-15/h2-6,13H,7-12,14H2,1H3,(H2,21,23,24,27)
InChIKeyWDGJBCJGOCQIOT-UHFFFAOYSA-N
XLogP2.08
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (CID 142715552) is 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is CN1CCN(CCNC(=O)Nc2nccnc2OCc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The InChIKey is WDGJBCJGOCQIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O2/c1-25-9-11-26(12-10-25)8-7-23-19(27)24-17-18(22-6-5-21-17)28-14-15-3-2-4-16(20)13-15/h2-6,13H,7-12,14H2,1H3,(H2,21,23,24,27).
What are the key properties of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea has a molecular weight of 404.90 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 142715552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).